data_2cqq_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 2cqq _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' ' ' GLU . . . . . 0.429 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 22.8 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.56 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 74.2 m95 -96.66 134.16 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 15' ' ' ASP . 81.5 p -123.71 150.38 44.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 12' ' ' THR . 12.4 mt-10 -32.89 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' THR . 1.0 OUTLIER -64.18 -49.57 71.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.56 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.37 -28.97 62.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.1 mt -79.75 -26.77 40.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -86.12 -31.88 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -71.49 -40.34 70.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.3 tp -45.06 -52.1 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -51.56 -36.51 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -69.76 -45.08 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.4 p -65.03 -47.34 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.6 mtp -45.52 -35.34 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.68 -41.96 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -68.3 -25.65 65.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.2 m-85 -134.89 83.03 41.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -167.85 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.371 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.41 149.58 35.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.16 -20.09 18.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.26 137.81 96.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.577 0.703 . . . . 0.0 111.171 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 114.5 3.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.18 24.09 49.27 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -44.52 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.516 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 46.2 m95 -56.23 -32.04 64.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -66.9 -31.15 71.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.576 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 7.4 mttm -84.28 -45.75 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.449 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.7 mt -59.33 -37.2 67.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.56 70.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -60.73 -25.7 66.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -83.61 -50.56 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.4 mt -69.28 -26.4 64.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.9 23.8 24.52 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 80.0 mtt-85 -123.7 -176.7 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' VAL . 2.1 m -93.31 142.38 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 44' ' ' SER . 18.0 t -33.92 -72.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -47.3 -38.55 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -58.43 -38.26 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' CG1' HG21 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -78.1 -66.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.516 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.68 -43.98 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.2 m -59.81 -27.52 66.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.407 ' HE3' ' CD1' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -86.41 -48.13 8.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.34 94.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.9 pt-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.565 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 76.0 m95 -99.75 120.25 39.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 15' ' ' ASP . 44.3 p -115.89 154.1 30.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.1 mt-10 -33.96 -42.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -60.76 -46.91 88.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.519 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.4 m-20 -73.79 -28.89 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.96 -30.42 44.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.3 -34.27 32.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -67.17 -37.19 83.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.7 tp -53.68 -58.0 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 m -44.11 -39.57 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -68.49 -50.07 55.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' LYS . 2.9 p -59.22 -50.51 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.0 mtp -42.24 -34.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.1 -40.29 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' SER . 46.0 tttm -69.58 -24.85 63.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.0 m-85 -135.03 82.5 42.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -176.89 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.6 148.39 46.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.32 -15.33 45.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -69.52 137.55 88.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.58 0.705 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 112.59 3.12 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.73 2.287 . . . . 0.0 112.295 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.26 26.95 34.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -48.78 -71.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.481 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 34.9 m95 -57.71 -27.2 62.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.52 -33.62 69.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.0 mttm -82.57 -45.01 15.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.449 HG22 ' CG1' ' A' ' 48' ' ' VAL . 85.1 mt -57.53 -41.78 79.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.62 -50.09 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 3.9 t60 -58.56 -21.37 52.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.92 -45.65 9.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.2 mt -76.03 -14.4 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.62 20.66 65.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.488 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' NH2' ' HA ' ' A' ' 11' ' ' TRP . 8.3 mtt-85 -118.56 -175.09 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.5 m -91.86 152.7 19.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 t -44.5 -69.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.412 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 3.1 t -50.57 -41.19 54.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -54.16 -37.75 64.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' CG1' HG22 ' A' ' 37' ' ' ILE . 1.3 t -75.52 -67.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.481 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -47.34 -44.39 23.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -57.49 -27.24 62.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.565 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.3 tppt? -85.54 -47.61 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -45.71 93.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 18.1 pt-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.853 0.359 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 73.5 m95 -97.04 134.09 40.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.3 p -123.02 150.65 42.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.167 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.2 mt-10 -33.74 -37.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' THR . 3.8 tp10 -64.31 -48.39 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.556 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -74.35 -28.26 61.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.32 -29.69 38.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 m -83.65 -31.72 26.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -73.12 -39.14 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.7 tp -44.52 -49.98 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 m -56.33 -34.65 66.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -70.39 -44.08 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 p -68.41 -43.3 77.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.3 mtt -48.63 -32.45 8.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.7 t -73.11 -42.53 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -66.41 -24.93 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.1 m-85 -135.02 82.85 41.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -174.34 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.76 150.36 46.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.14 -16.87 31.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.22 137.23 89.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.689 . . . . 0.0 111.124 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.91 4.31 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 22.22 57.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -44.15 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.521 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 39.6 m95 -55.69 -32.8 63.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.66 -30.87 71.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.4 mttm -84.27 -45.33 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.446 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.6 mt -59.56 -38.2 74.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.53 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -59.11 -30.28 68.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.9 -50.86 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.3 mt -69.9 -23.46 63.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.16 20.39 42.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.441 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 86.0 mtt-85 -119.85 -177.71 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.7 m -92.07 145.91 24.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.452 HG12 ' CB ' ' A' ' 34' ' ' TRP . 93.7 t -38.74 -73.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.443 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 2.8 t -43.2 -44.65 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -53.29 -43.09 67.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.446 ' CG1' HG21 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -72.77 -66.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.521 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -45.93 -43.55 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.2 m -61.07 -28.53 69.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -84.33 -49.41 8.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.42 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.57 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 75.1 m95 -100.62 119.63 38.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' ASP . 35.1 p -116.64 154.69 30.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 12' ' ' THR . 8.1 mt-10 -32.97 -44.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -57.97 -50.3 73.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.57 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.6 m-20 -70.63 -30.47 67.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.1 mt -78.02 -27.49 48.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.73 -33.46 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 2.9 mm-40 -67.13 -40.86 86.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 tp -50.45 -48.47 56.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.9 m -54.15 -25.93 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -82.58 -45.4 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 p -65.27 -46.3 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.6 mtp -46.86 -35.55 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.2 -41.2 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -68.91 -25.79 64.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.9 m-85 -135.03 83.35 40.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.656 0.741 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -170.57 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.17 150.88 41.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.86 -15.98 34.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.21 138.0 84.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.091 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.26 4.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.62 24.88 52.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -46.77 -72.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 50.0 m95 -57.25 -28.85 63.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -69.21 -33.26 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.584 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.6 mttm -83.15 -43.07 16.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.451 HG22 ' CG1' ' A' ' 48' ' ' VAL . 95.4 mt -61.67 -37.68 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.92 -47.55 74.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -60.82 -22.46 64.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -85.11 -51.71 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 61.7 mt -71.16 -13.05 61.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.57 21.55 66.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.418 ' NH2' ' HA ' ' A' ' 11' ' ' TRP . 5.0 mtt-85 -117.06 -174.27 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 45' ' ' VAL . 3.5 m -97.58 143.33 28.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 44' ' ' SER . 69.7 t -33.3 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 50' ' ' THR . 4.0 t -45.0 -41.99 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -53.64 -42.32 67.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.451 ' CG1' HG22 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -74.57 -67.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.519 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.49 -45.68 18.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 46' ' ' THR . 70.4 m -57.48 -27.67 62.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.531 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.0 tppt? -85.3 -52.02 6.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.59 80.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 16.3 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.521 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 70.8 m95 -95.93 133.17 40.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASP . 67.0 p -120.73 150.24 41.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' THR . 8.1 mt-10 -33.29 -45.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.93 -47.09 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.521 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.57 -29.03 62.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.0 mt -79.84 -27.07 40.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.32 -33.32 22.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.6 mm-40 -67.69 -42.42 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.8 tp -47.02 -51.92 16.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.6 m -50.06 -37.25 32.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -72.5 -46.15 56.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.6 p -60.91 -50.44 73.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.3 mtp -42.24 -36.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.67 -42.01 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -68.41 -26.59 65.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.0 m-85 -134.98 83.77 39.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -169.79 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.749 2.3 . . . . 0.0 112.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.07 149.52 37.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.39 -13.72 49.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.4 137.76 81.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.603 0.716 . . . . 0.0 111.142 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.37 5.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.55 23.64 57.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -45.92 -72.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.518 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 42.4 m95 -56.65 -31.18 64.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.49 -32.67 73.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.5 mttm -83.16 -45.37 14.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.45 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.5 mt -59.18 -37.85 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.5 74.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 7.0 t60 -60.92 -26.61 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -82.36 -50.08 9.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 62.4 mt -70.54 -25.03 62.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.83 13.93 55.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.439 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.516 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 83.4 mtt-85 -112.32 -177.73 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.6 m -89.9 153.44 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.1 t -44.57 -71.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.425 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 4.8 t -47.51 -42.12 22.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -53.73 -41.45 67.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.45 ' CG1' HG21 ' A' ' 37' ' ' ILE . 1.2 t -73.67 -66.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.518 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.8 -45.2 19.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.7 m -58.62 -27.07 64.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.521 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 12.1 tppt? -86.11 -48.77 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.87 92.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.56 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 73.8 m95 -97.16 135.25 39.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 81.6 p -123.41 150.01 44.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' THR . 7.1 mt-10 -33.47 -37.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' THR . 10.1 tt0 -65.09 -48.77 72.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.56 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.0 -27.91 61.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -81.06 -28.36 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -84.72 -31.77 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.38 -39.37 68.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.4 tp -45.59 -50.26 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 m -54.03 -37.16 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -44.33 73.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.3 p -66.28 -45.66 79.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.4 mtp -46.41 -33.52 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -72.86 -43.01 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -66.2 -25.54 66.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.574 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 11.7 m-85 -134.96 83.22 40.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.642 0.734 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.15 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.3 151.41 46.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.43 -17.47 24.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.8 138.21 90.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 111.077 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 116.57 4.62 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.73 22.84 59.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -45.11 -72.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.52 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 44.1 m95 -56.99 -30.94 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.6 -31.65 71.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.574 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.5 mttt -84.3 -46.84 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.45 HG23 ' CG1' ' A' ' 48' ' ' VAL . 96.8 mt -58.03 -36.73 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.54 -49.55 66.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -60.58 -27.73 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -80.18 -47.75 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.1 mt -73.63 -17.52 61.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.41 14.93 61.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 82.0 mtt-85 -116.95 -175.02 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 22.4 m -95.31 158.3 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.0 t -46.16 -74.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.168 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.436 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 12.4 t -46.35 -39.92 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.06 -38.42 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.45 ' CG1' HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -79.32 -66.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.52 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.68 -49.54 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -57.32 -23.84 51.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.526 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.6 tppt? -88.32 -48.24 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.19 87.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.562 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 70.9 m95 -96.19 134.05 39.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' ASP . 64.7 p -121.0 149.32 42.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' THR . 13.1 mt-10 -33.32 -37.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' THR . 19.8 tt0 -64.0 -48.95 74.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -73.8 -32.9 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -74.74 -27.73 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -84.97 -31.44 23.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.06 -37.09 66.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.6 tp -47.0 -59.33 3.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.0 m -45.51 -38.08 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -66.34 -49.18 67.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.8 p -62.02 -46.86 87.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.7 mtp -44.84 -36.22 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.92 -42.26 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -67.4 -26.14 66.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.9 m-85 -135.06 83.67 39.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.68 0.752 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.58 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.32 150.29 43.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 -21.68 11.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.98 138.04 97.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 111.099 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.23 4.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.39 23.35 54.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -43.59 -73.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.526 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 46.0 m95 -56.24 -33.01 65.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -64.89 -32.43 74.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 10.0 mttm -83.62 -45.3 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.454 HG23 ' CG1' ' A' ' 48' ' ' VAL . 96.7 mt -59.64 -37.96 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.5 -49.45 68.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.057 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 12.2 t-160 -61.37 -24.57 66.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -84.67 -48.06 9.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.1 mt -72.49 -24.88 61.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.05 23.42 27.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.425 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 79.8 mtt-85 -122.6 -177.73 3.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' VAL . 4.9 m -91.38 143.49 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' SER . 55.3 t -36.0 -72.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.442 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 3.3 t -46.59 -42.58 16.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.71 -41.29 66.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.454 ' CG1' HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -73.74 -66.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.526 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -47.07 -41.87 17.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.3 m -60.53 -28.26 68.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.509 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 13.0 tppt? -86.15 -49.38 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.62 91.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 7.4 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 73.0 m95 -98.09 130.96 44.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.0 p -118.84 150.83 39.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.4 mt-10 -34.83 -39.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.81 -46.04 86.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.536 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -75.13 -27.88 59.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 mt -78.77 -35.58 44.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 -34.53 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -66.32 -42.21 88.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.0 tp -46.81 -50.74 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.5 m -53.02 -35.73 59.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -71.66 -45.66 61.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.8 p -63.6 -47.59 80.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 mtp -44.32 -36.17 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.8 t -70.09 -42.95 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -66.28 -25.99 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.8 m-85 -135.0 83.6 39.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.12 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.48 150.26 41.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.32 -18.38 23.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.3 137.97 94.12 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.576 0.703 . . . . 0.0 111.127 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 116.09 4.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.703 2.268 . . . . 0.0 112.376 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.33 23.58 56.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -44.33 -73.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.512 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 48.8 m95 -56.6 -32.22 65.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -66.35 -31.15 71.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.3 mttm -84.23 -45.81 12.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.449 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.1 mt -59.23 -38.08 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.13 -49.06 71.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -61.08 -24.96 66.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -83.11 -50.45 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.93 -23.56 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.12 15.84 55.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 84.2 mtt-85 -114.6 -174.81 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.7 m -92.66 145.2 24.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -38.93 -72.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.435 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 9.6 t -47.48 -39.15 15.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -56.9 -40.8 76.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' CG1' HG21 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -73.83 -65.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.512 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -47.94 -43.39 29.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.9 m -60.39 -25.45 65.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.567 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tppt? -89.33 -49.53 6.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.73 -36.08 73.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.522 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 70.7 m95 -97.25 134.97 39.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASP . 61.2 p -122.03 149.54 43.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.5 mt-10 -33.11 -43.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -59.62 -47.67 84.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.522 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.18 -30.04 63.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -77.8 -29.63 50.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.77 -33.79 27.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 3.8 mm-40 -66.63 -40.31 88.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 tp -49.52 -46.85 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.4 m -56.41 -31.78 64.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -78.78 -43.4 25.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 p -64.94 -48.55 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.6 mtp -44.47 -35.34 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.4 t -70.84 -42.07 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -67.51 -25.9 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.4 m-85 -135.05 83.68 39.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -170.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.97 150.47 41.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.62 -21.61 10.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.46 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.7 138.0 97.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.573 0.702 . . . . 0.0 111.141 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 24.63 44.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -44.53 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.349 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.518 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 41.8 m95 -56.92 -31.72 65.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.62 -31.28 71.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.1 mttm -84.31 -45.3 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.448 HG23 ' CG1' ' A' ' 48' ' ' VAL . 96.3 mt -59.98 -37.35 72.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -49.37 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.045 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 2.2 t60 -59.8 -28.83 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -80.16 -50.28 10.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 50.1 mt -70.35 -24.41 62.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.85 22.92 34.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.467 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 81.1 mtt-85 -120.56 -177.25 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' VAL . 5.1 m -91.41 143.7 26.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' SER . 42.1 t -35.97 -74.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.465 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 7.1 t -45.42 -40.51 8.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.95 -43.93 70.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.448 ' CG1' HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -71.93 -66.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.518 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.97 -41.43 16.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 m -61.67 -28.43 69.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.512 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.9 tppt? -85.81 -46.25 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.15 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.572 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 69.3 m95 -96.98 132.47 42.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' ASP . 59.8 p -118.87 150.06 40.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.0 mt-10 -33.8 -42.65 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -60.81 -47.16 87.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.545 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.88 -28.73 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 mt -78.7 -30.73 46.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.24 -33.88 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -66.94 -41.36 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -47.03 -51.0 18.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.5 m -52.02 -33.49 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -75.39 -45.84 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -62.31 -48.58 79.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.1 mtt -44.53 -36.43 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.34 -42.12 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -67.72 -26.34 66.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.2 m-85 -135.05 83.73 38.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.07 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.21 150.04 44.98 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.59 -15.99 38.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.493 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.71 137.81 85.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 117.96 5.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.17 22.86 60.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -44.76 -72.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.513 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 33.9 m95 -55.99 -33.07 64.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -65.45 -32.65 74.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.8 mttm -83.23 -44.83 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.21 -38.0 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -47.48 75.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -62.55 -24.75 67.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -83.48 -50.61 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.2 -20.84 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.26 11.12 60.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.562 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 82.1 mtt-85 -111.76 -175.21 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.413 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 3.3 m -94.11 160.07 14.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.445 HG11 ' N ' ' A' ' 46' ' ' THR . 24.8 t -47.86 -74.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.445 ' N ' HG11 ' A' ' 45' ' ' VAL . 7.9 t -46.6 -39.23 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -55.57 -42.83 75.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 44' ' ' SER . 1.3 t -73.98 -65.3 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.513 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -48.15 -47.95 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 46' ' ' THR . 95.9 m -56.64 -27.38 58.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.572 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -85.96 -50.6 6.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.89 88.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.6 pt-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 74.6 m95 -99.42 134.08 42.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' ASP . 72.9 p -122.11 148.76 44.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.1 mt-10 -32.45 -37.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 12' ' ' THR . 3.2 tp10 -63.56 -51.02 67.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.531 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -71.69 -35.25 70.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 mt -71.09 -26.44 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -84.2 -31.05 25.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.6 mt-30 -71.16 -41.79 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.7 tp -46.56 -47.15 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.6 m -59.22 -31.27 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -77.75 -42.87 32.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 p -66.7 -47.54 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mtp -44.49 -34.68 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.0 t -70.63 -42.38 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -67.45 -26.42 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.8 m-85 -134.99 83.79 39.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -174.88 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.258 . . . . 0.0 112.313 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.33 150.71 47.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.71 -18.51 19.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.01 137.45 95.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.541 0.686 . . . . 0.0 111.186 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 111.76 2.9 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.7 21.08 52.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -43.89 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.516 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 40.8 m95 -55.41 -32.63 62.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -66.6 -31.43 72.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.5 mttt -84.68 -45.09 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.446 HG23 ' CG1' ' A' ' 48' ' ' VAL . 96.5 mt -60.07 -37.38 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.15 -48.55 70.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -60.57 -26.35 66.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.69 -50.13 9.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 48.6 mt -70.02 -24.56 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.69 17.9 46.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.477 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 75.3 mtt-85 -116.21 -176.01 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' VAL . 3.1 m -93.99 144.14 25.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' SER . 16.5 t -35.2 -74.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.472 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 13.5 t -45.04 -41.8 7.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -53.86 -42.5 68.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.446 ' CG1' HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -73.84 -65.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.516 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.63 -41.0 14.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 79.8 m -62.49 -28.67 69.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.517 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.3 tppt? -85.46 -48.13 9.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.44 92.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.419 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.1 pt-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.563 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 71.3 m95 -101.16 133.9 45.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.0 p -120.1 149.09 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.3 mt-10 -33.15 -43.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -60.45 -48.71 80.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.524 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -72.09 -28.34 63.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.82 -30.12 40.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.1 -33.8 29.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 5.4 mm100 -67.08 -43.88 81.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 tp -44.57 -46.96 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.0 m -57.95 -32.76 68.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -76.96 -42.17 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.3 p -66.78 -46.56 74.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.5 mtt -45.64 -35.81 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.3 t -69.86 -42.96 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -66.4 -26.04 67.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.1 m-85 -134.98 83.6 39.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -171.82 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.64 151.15 44.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.8 -20.79 10.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.51 137.84 97.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 112.56 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.88 25.49 37.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -46.31 -72.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.522 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 40.8 m95 -57.41 -29.35 64.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -69.05 -32.08 71.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.8 mttt -83.63 -46.09 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.445 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.7 mt -58.56 -38.58 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.84 -48.83 72.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -59.83 -28.54 67.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -80.75 -51.22 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 54.2 mt -69.14 -24.67 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.22 22.81 31.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.514 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 82.5 mtt-85 -121.81 -176.23 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 45' ' ' VAL . 21.2 m -94.47 145.49 24.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.439 HG12 ' CB ' ' A' ' 34' ' ' TRP . 88.9 t -36.5 -74.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.416 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 2.6 t -44.66 -42.24 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.35 -42.53 70.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.445 ' CG1' HG21 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -74.5 -67.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.522 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -46.29 -43.46 15.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.182 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' THR . 77.3 m -61.43 -28.0 68.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 10.7 tppt? -84.66 -48.59 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.68 -47.33 86.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.547 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 71.9 m95 -97.07 129.33 44.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' ASP . 71.1 p -117.2 150.63 38.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.8 mt-10 -34.18 -40.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -62.85 -47.11 84.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.547 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.58 -28.48 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.0 -27.62 33.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -85.43 -31.97 22.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.04 -45.62 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -41.78 -53.57 3.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.6 m -48.48 -35.38 12.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -74.25 -47.44 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.1 p -60.12 -47.78 84.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.6 mtp -44.57 -36.45 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.54 -42.64 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -66.96 -26.5 66.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.5 m-85 -134.95 83.93 38.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.719 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -173.28 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.55 151.48 46.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.55 -21.43 8.98 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.55 138.1 97.27 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.542 0.687 . . . . 0.0 111.17 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.02 2.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.94 25.45 37.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -45.64 -72.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.515 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 38.4 m95 -57.01 -30.7 64.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -67.67 -31.99 72.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.3 mttm -83.74 -44.68 14.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.45 HG22 ' CG1' ' A' ' 48' ' ' VAL . 95.3 mt -60.85 -39.02 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.37 79.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 6.8 t60 -61.28 -28.1 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.22 -51.3 8.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.7 mt -68.64 -21.52 64.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.0 19.57 50.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 83.1 mtt-85 -119.17 -174.83 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.413 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 75.0 m -93.07 157.93 16.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 46' ' ' THR . 22.9 t -48.92 -74.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.464 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 5.5 t -45.61 -39.12 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -47.41 78.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.45 ' CG1' HG22 ' A' ' 37' ' ' ILE . 1.1 t -68.81 -65.21 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.515 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -46.94 -51.58 16.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -53.64 -23.99 12.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.452 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.1 tppt? -89.34 -50.24 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.84 76.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.092 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.45 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.6 pt-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 79.4 m95 -102.08 120.56 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' ASP . 69.5 p -120.19 155.19 33.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.5 mt-10 -33.75 -36.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' THR . 38.6 tt0 -64.5 -48.99 73.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.574 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.7 m-20 -74.15 -31.66 62.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.72 -26.89 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -84.97 -32.76 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -69.57 -36.83 76.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.6 tp -53.35 -51.86 61.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 m -50.19 -30.66 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -77.21 -47.42 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 p -62.8 -47.74 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.1 mtp -45.21 -36.01 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.94 -42.2 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -67.78 -26.01 65.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 6.9 m-85 -134.99 83.49 39.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -174.12 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.85 150.48 46.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.34 -20.03 15.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.44 137.89 96.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 113.94 3.53 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.8 23.86 48.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -44.78 -73.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.518 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 45.5 m95 -55.87 -31.85 63.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.89 -31.84 72.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.576 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.1 mttm -83.88 -45.43 13.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.458 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.7 mt -59.58 -41.28 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.47 79.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 5.4 t60 -59.98 -24.66 64.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.77 -49.17 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.04 -14.9 61.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.8 18.8 71.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 7.4 mtt-85 -112.8 -174.73 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' VAL . 50.1 m -94.58 139.7 30.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 44' ' ' SER . 19.3 t -33.59 -74.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.449 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 7.4 t -45.89 -40.46 10.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -54.06 -46.62 72.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.458 ' CG1' HG21 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -68.86 -66.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.518 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.63 -47.58 20.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -58.2 -25.35 61.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 3.4 tppt? -87.17 -49.35 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.3 93.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 23.2 pm0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 72.4 m95 -97.4 134.82 40.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 73.0 p -122.67 150.34 42.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.2 mt-10 -33.9 -41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.21 -47.16 85.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.534 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.25 -28.81 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -78.12 -32.97 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.63 -33.13 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -67.04 -39.46 86.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 tp -49.68 -50.59 43.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.1 m -51.79 -33.05 33.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -75.26 -44.74 44.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.3 p -64.36 -47.99 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.3 mtp -44.68 -34.86 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.54 -42.5 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -67.45 -26.01 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.6 m-85 -134.88 83.39 40.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.74 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -173.67 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.24 150.84 46.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.07 -19.63 16.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.15 138.06 95.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 114.91 3.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.749 2.299 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.57 23.69 52.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -45.06 -72.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 40.9 m95 -56.44 -30.31 62.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.46 -31.75 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.576 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 13.0 mttt -83.71 -45.36 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.444 HG22 ' CG1' ' A' ' 48' ' ' VAL . 96.5 mt -59.33 -38.36 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.95 -48.86 72.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -59.88 -28.54 67.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -80.68 -50.11 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.43 -23.96 62.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.4 19.19 42.57 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 85.7 mtt-85 -118.92 -177.35 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' VAL . 3.4 m -93.04 142.97 26.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' SER . 74.9 t -35.39 -72.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.449 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 4.2 t -44.57 -44.74 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -53.29 -40.28 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.444 ' CG1' HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -75.29 -66.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.519 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -46.07 -43.93 15.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -59.32 -28.68 67.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.561 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 1.4 tppm? -86.66 -49.29 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.85 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 11.0 pt-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.348 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 72.4 m95 -96.08 133.19 40.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 15' ' ' ASP . 73.9 p -122.24 150.54 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.3 mt-10 -33.61 -37.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' THR . 25.8 tt0 -63.99 -48.42 76.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.568 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.4 -31.0 62.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.14 -26.88 48.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -85.32 -32.12 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 3.5 mm-40 -69.3 -42.74 75.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -46.61 -49.9 18.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.5 m -55.16 -30.81 60.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -79.87 -42.97 23.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.8 p -65.05 -48.32 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.1 mtp -43.78 -36.1 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.17 -42.5 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -67.59 -26.12 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 6.4 m-85 -134.98 83.57 39.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.716 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -170.62 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.15 152.0 44.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.01 -23.52 5.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.56 137.92 92.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 111.14 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 110.14 2.46 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.91 27.34 29.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -46.15 -72.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.517 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 45.1 m95 -57.03 -30.25 64.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -67.51 -33.36 74.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 10.3 mttm -82.03 -45.41 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.441 HG23 ' CG1' ' A' ' 48' ' ' VAL . 96.5 mt -58.99 -38.95 76.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.23 80.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -60.79 -28.77 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -81.19 -51.49 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 69.4 mt -67.75 -27.0 66.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.3 20.37 35.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 79.4 mtt-85 -118.23 -176.13 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 45' ' ' VAL . 2.3 m -92.14 143.65 26.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 44' ' ' SER . 41.9 t -36.12 -73.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.433 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 2.8 t -48.87 -35.73 15.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -58.98 -39.0 80.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.441 ' CG1' HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.8 -65.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.517 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -47.8 -43.1 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.7 m -62.08 -25.0 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.532 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 11.9 tppt? -86.77 -42.69 13.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.01 -45.46 88.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 13.8 pt-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.557 ' CH2' ' HD2' ' A' ' 43' ' ' ARG . 71.5 m95 -100.65 132.33 46.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 15' ' ' ASP . 65.1 p -120.75 150.7 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' THR . 7.4 mt-10 -34.33 -44.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -59.06 -45.14 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.7 OUTLIER -74.95 -30.54 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 mt -78.76 -27.17 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.91 -33.0 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.458 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.0 mm100 -69.04 -40.64 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 tp -47.34 -59.44 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.8 m -46.32 -35.02 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -75.02 -46.13 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.7 p -61.45 -46.0 91.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.8 mtp -45.3 -35.58 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.84 -41.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -67.52 -26.02 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.7 m-85 -135.01 83.47 39.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -174.62 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.72 150.96 47.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.12 -19.61 16.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.06 138.08 96.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 111.175 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 113.27 3.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.84 26.55 37.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -47.69 -72.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.329 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.513 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 34.1 m95 -58.29 -27.09 63.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -70.8 -32.91 70.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.9 mttt -83.41 -44.94 14.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.447 HG23 ' CG1' ' A' ' 48' ' ' VAL . 96.5 mt -59.26 -37.07 66.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.33 67.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.456 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 3.5 t60 -59.68 -27.83 66.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.56 -49.95 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 82.8 mt -71.53 -22.1 61.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.98 19.62 50.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.557 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 69.3 mtt-85 -117.68 -174.98 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.353 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.446 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 13.4 m -91.39 156.85 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 46' ' ' THR . 24.4 t -50.23 -74.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.461 ' N ' HG13 ' A' ' 45' ' ' VAL . 8.8 t -46.93 -36.47 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' N ' HG21 ' A' ' 46' ' ' THR . 0.6 OUTLIER -57.82 -43.99 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -71.01 -65.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.513 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -47.42 -41.82 20.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.9 m -62.93 -26.68 68.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.6 tppt? -87.17 -45.78 10.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.29 97.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.557 ' CH2' ' HD2' ' A' ' 43' ' ' ARG . 71.7 m95 -97.76 131.76 43.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' ASP . 72.3 p -119.47 150.12 40.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.2 mt-10 -33.76 -42.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.89 -46.86 88.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.526 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.79 -29.21 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.64 -30.64 46.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.71 -33.86 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -69.33 -39.66 78.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.0 tp -45.09 -55.23 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.0 m -50.09 -40.52 45.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -64.62 -46.11 84.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.3 p -65.04 -45.8 83.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.1 mtp -45.62 -34.79 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.81 -42.86 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -66.02 -25.41 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 10.1 m-85 -135.0 83.21 40.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.667 0.746 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -171.58 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.88 150.99 43.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.64 -18.7 18.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.97 137.59 94.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.591 0.71 . . . . 0.0 111.176 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 115.49 4.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.02 24.29 52.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -44.78 -73.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.515 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 37.9 m95 -57.07 -31.37 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.32 -30.82 70.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.8 mttm -84.36 -45.09 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.451 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.6 mt -60.14 -37.88 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.89 -49.37 70.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.092 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.99 -29.78 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.02 -50.55 10.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.0 mt -69.78 -23.26 63.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.86 15.6 53.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.557 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 85.7 mtt-85 -116.02 -176.34 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.422 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 2.9 m -91.59 159.21 16.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.1 t -48.09 -74.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.47 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 11.3 t -46.64 -40.24 12.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.94 -40.27 66.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.451 ' CG1' HG21 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -77.68 -67.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.515 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -46.29 -46.4 17.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 46' ' ' THR . 97.4 m -57.92 -28.72 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.514 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 13.1 tppt? -85.8 -51.25 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.17 -45.11 83.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 8.8 pt-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.778 0.323 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.554 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 73.8 m95 -97.17 130.53 44.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ASP . 57.2 p -118.96 150.74 39.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.3 mt-10 -33.94 -43.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -61.11 -46.67 89.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.513 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.94 -27.55 61.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -80.74 -29.52 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -33.65 27.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -68.76 -39.45 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -47.89 -47.45 31.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -55.21 -31.57 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? -75.83 -43.39 46.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 p -66.12 -46.45 77.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.3 mtp -46.22 -35.07 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -70.25 -42.35 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -67.45 -26.39 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.577 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.2 m-85 -133.92 83.04 47.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -173.86 0.79 Allowed 'Trans proline' 0 N--CA 1.466 -0.132 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.53 149.69 43.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.34 -15.1 41.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.45 137.65 86.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 115.81 4.27 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.4 ' C ' ' HD2' ' A' ' 36' ' ' LYS . . . 82.66 21.91 59.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -44.25 -72.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.518 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 43.7 m95 -55.08 -34.33 63.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -65.34 -31.24 72.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 7.3 mttm -83.9 -46.0 12.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.452 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.5 mt -58.64 -37.81 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.67 -48.46 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.062 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.97 -25.19 66.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -83.22 -50.47 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.1 mt -71.23 -22.48 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.31 22.51 34.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.549 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 87.4 mtt-85 -120.44 -175.2 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.2 m -94.0 149.77 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 t -40.47 -72.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.47 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 8.4 t -47.96 -40.31 21.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.89 -38.32 67.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.452 ' CG1' HG21 ' A' ' 37' ' ' ILE . 1.1 t -78.09 -65.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.518 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.83 -42.32 17.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -62.97 -27.21 69.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.554 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 14.5 tppt? -86.33 -49.17 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.97 92.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.541 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 76.0 m95 -101.35 120.95 41.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 15' ' ' ASP . 63.7 p -114.32 152.25 31.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.0 mt-10 -33.41 -42.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.79 -47.58 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.541 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.8 m-20 -73.56 -38.1 65.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.39 -35.66 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.73 -33.87 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.465 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 2.7 mm-40 -65.17 -38.19 89.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.95 -53.87 50.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -46.77 -30.53 2.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -77.57 -48.54 16.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.6 p -61.22 -48.4 81.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 mtp -44.9 -36.92 3.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.02 -41.93 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -68.86 -25.73 64.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.9 m-85 -134.46 82.87 44.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.675 0.75 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -173.45 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.76 149.79 43.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.87 -12.76 51.91 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.518 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.18 137.78 78.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.566 0.698 . . . . 0.0 111.149 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 117.34 5.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.74 22.83 61.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -45.45 -72.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.811 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.474 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 38.7 m95 -55.66 -31.97 62.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -67.46 -31.85 72.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.3 mttm -83.41 -45.06 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.449 HG22 ' CG1' ' A' ' 48' ' ' VAL . 96.7 mt -58.43 -42.73 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.29 77.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -58.94 -21.71 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.813 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -87.96 -45.96 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 57.3 mt -76.57 -18.86 58.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.98 21.19 57.9 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 11.3 mtt-85 -115.57 -175.16 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' VAL . 3.4 m -93.56 140.97 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 46' ' ' THR . 24.4 t -35.16 -74.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.462 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 4.1 t -46.33 -41.51 13.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -53.21 -43.69 67.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' CG1' HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -70.47 -65.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.474 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -48.03 -38.45 17.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.9 m -63.18 -28.11 69.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.498 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 12.9 tppt? -85.49 -48.08 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.97 94.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -50.4 -54.03 24.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -52.56 140.28 23.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.98 158.61 24.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -133.8 170.81 15.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -49.4 170.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.08 -124.71 3.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.18 144.13 27.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.584 0.707 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.13 28.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 22.8 pt-20 -73.65 -177.84 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.56 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 74.2 m95 -96.66 134.16 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 15' ' ' ASP . 81.5 p -123.71 150.38 44.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 12' ' ' THR . 12.4 mt-10 -32.89 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' THR . 1.0 OUTLIER -64.18 -49.57 71.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.56 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.37 -28.97 62.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.1 mt -79.75 -26.77 40.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -86.12 -31.88 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -71.49 -40.34 70.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.3 tp -45.06 -52.1 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -51.56 -36.51 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -69.76 -45.08 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.4 p -65.03 -47.34 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.6 mtp -45.52 -35.34 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.68 -41.96 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -68.3 -25.65 65.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.2 m-85 -134.89 83.03 41.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -167.85 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.371 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.41 149.58 35.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.16 -20.09 18.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.26 137.81 96.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.577 0.703 . . . . 0.0 111.171 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 114.5 3.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.18 24.09 49.27 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -44.52 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.516 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 46.2 m95 -56.23 -32.04 64.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -66.9 -31.15 71.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.576 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 7.4 mttm -84.28 -45.75 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.449 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.7 mt -59.33 -37.2 67.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.56 70.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -60.73 -25.7 66.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -83.61 -50.56 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.4 mt -69.28 -26.4 64.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.9 23.8 24.52 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 80.0 mtt-85 -123.7 -176.7 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' VAL . 2.1 m -93.31 142.38 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 44' ' ' SER . 18.0 t -33.92 -72.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -47.3 -38.55 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -58.43 -38.26 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' CG1' HG21 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -78.1 -66.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.516 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.68 -43.98 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.2 m -59.81 -27.52 66.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.407 ' HE3' ' CD1' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -86.41 -48.13 8.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.34 94.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.3 -38.41 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.461 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 36.5 mt-30 -66.26 -34.57 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.7 mt -72.29 -37.38 69.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -72.86 -28.13 62.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -72.61 -51.65 18.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m -92.6 86.33 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.9 m -131.31 173.05 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 p -119.72 100.32 7.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.9 p -150.6 161.85 41.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.1 m -41.98 142.94 1.06 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -15.65 37.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.256 . . . . 0.0 112.312 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.13 82.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.5 ttp -56.79 87.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 p -110.01 155.34 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.1 m -85.38 -46.61 10.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.99 146.96 11.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -31.24 20.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -156.36 128.09 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.8 m -78.29 -57.66 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.472 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m 58.8 37.32 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -98.48 -51.04 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.53 149.98 21.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -150.56 158.19 43.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -111.62 -44.48 3.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.33 -117.48 4.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.09 144.52 18.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 111.056 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 152.02 69.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.9 pt-20 -59.68 -177.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.565 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 76.0 m95 -99.75 120.25 39.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 15' ' ' ASP . 44.3 p -115.89 154.1 30.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.1 mt-10 -33.96 -42.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -60.76 -46.91 88.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.519 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.4 m-20 -73.79 -28.89 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.96 -30.42 44.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.3 -34.27 32.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -67.17 -37.19 83.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.7 tp -53.68 -58.0 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 m -44.11 -39.57 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -68.49 -50.07 55.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' LYS . 2.9 p -59.22 -50.51 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.0 mtp -42.24 -34.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.1 -40.29 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' SER . 46.0 tttm -69.58 -24.85 63.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.0 m-85 -135.03 82.5 42.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -176.89 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.6 148.39 46.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.32 -15.33 45.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -69.52 137.55 88.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.58 0.705 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 112.59 3.12 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.73 2.287 . . . . 0.0 112.295 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.26 26.95 34.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -48.78 -71.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.481 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 34.9 m95 -57.71 -27.2 62.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.52 -33.62 69.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.0 mttm -82.57 -45.01 15.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.449 HG22 ' CG1' ' A' ' 48' ' ' VAL . 85.1 mt -57.53 -41.78 79.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.62 -50.09 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 3.9 t60 -58.56 -21.37 52.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.92 -45.65 9.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.2 mt -76.03 -14.4 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.62 20.66 65.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.488 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' NH2' ' HA ' ' A' ' 11' ' ' TRP . 8.3 mtt-85 -118.56 -175.09 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.5 m -91.86 152.7 19.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 t -44.5 -69.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.412 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 3.1 t -50.57 -41.19 54.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -54.16 -37.75 64.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' CG1' HG22 ' A' ' 37' ' ' ILE . 1.3 t -75.52 -67.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.481 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -47.34 -44.39 23.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -57.49 -27.24 62.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.565 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.3 tppt? -85.54 -47.61 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -45.71 93.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.1 -34.41 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 53' ' ' LYS . 75.4 mt-30 -69.46 -36.99 77.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.3 mt -68.74 -27.28 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -78.45 -24.88 45.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 58' ' ' SER . 0.2 OUTLIER -82.88 -53.24 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.514 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 7.9 t -59.44 97.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -141.55 123.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 76.6 p -127.26 107.15 9.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.2 t -117.87 81.65 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.1 t -155.25 139.53 11.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.881 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.88 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.256 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.19 142.03 32.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.4 ttm -98.44 102.65 14.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.0 t -88.44 117.72 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 t -63.18 175.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.02 158.86 29.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 110.72 2.63 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.671 2.247 . . . . 0.0 112.292 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.9 p -102.14 -50.68 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.3 p -91.71 125.53 36.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -78.95 134.24 36.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -84.59 -48.5 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.0 -178.74 16.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 p -83.82 172.08 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -96.12 96.34 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.7 -109.66 3.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.79 145.32 6.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.36 16.74 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.384 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 18.1 pt-20 -71.15 -177.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 73.5 m95 -97.04 134.09 40.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.3 p -123.02 150.65 42.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.167 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.2 mt-10 -33.74 -37.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' THR . 3.8 tp10 -64.31 -48.39 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.556 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -74.35 -28.26 61.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.32 -29.69 38.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 m -83.65 -31.72 26.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -73.12 -39.14 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.7 tp -44.52 -49.98 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 m -56.33 -34.65 66.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -70.39 -44.08 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 p -68.41 -43.3 77.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.3 mtt -48.63 -32.45 8.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.7 t -73.11 -42.53 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -66.41 -24.93 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.1 m-85 -135.02 82.85 41.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -174.34 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.76 150.36 46.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.14 -16.87 31.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.22 137.23 89.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.689 . . . . 0.0 111.124 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.91 4.31 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 22.22 57.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -44.15 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.521 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 39.6 m95 -55.69 -32.8 63.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.66 -30.87 71.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.4 mttm -84.27 -45.33 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.446 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.6 mt -59.56 -38.2 74.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.53 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -59.11 -30.28 68.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.9 -50.86 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.3 mt -69.9 -23.46 63.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.16 20.39 42.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.441 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 86.0 mtt-85 -119.85 -177.71 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.7 m -92.07 145.91 24.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.452 HG12 ' CB ' ' A' ' 34' ' ' TRP . 93.7 t -38.74 -73.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.443 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 2.8 t -43.2 -44.65 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -53.29 -43.09 67.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.446 ' CG1' HG21 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -72.77 -66.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.521 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -45.93 -43.55 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.2 m -61.07 -28.53 69.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -84.33 -49.41 8.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.42 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.41 -28.71 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -77.65 -30.72 52.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.7 mt -82.59 -46.7 12.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -50.03 -33.26 17.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.04 -44.7 14.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 t -84.32 85.79 7.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.6 m -128.94 171.1 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 t -123.17 -20.57 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 t 55.91 48.84 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.6 p -94.35 145.91 30.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -11.57 31.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 164.78 -142.09 7.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 ptm -64.99 118.11 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 67' ' ' SER . 11.2 p -67.13 141.77 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.437 ' N ' HG23 ' A' ' 66' ' ' VAL . 83.5 p -49.77 -47.03 51.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.32 143.25 3.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -45.22 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.8 t -66.15 144.25 56.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 93.6 p -58.93 175.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -85.85 127.22 34.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -91.7 138.86 31.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.96 132.77 9.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -66.56 97.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.84 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -117.73 137.11 52.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.821 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.93 113.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.76 141.42 36.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -178.5 2.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -82.74 -177.75 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.57 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 75.1 m95 -100.62 119.63 38.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' ASP . 35.1 p -116.64 154.69 30.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 12' ' ' THR . 8.1 mt-10 -32.97 -44.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -57.97 -50.3 73.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.57 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.6 m-20 -70.63 -30.47 67.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.1 mt -78.02 -27.49 48.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.73 -33.46 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 2.9 mm-40 -67.13 -40.86 86.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 tp -50.45 -48.47 56.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.9 m -54.15 -25.93 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -82.58 -45.4 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 p -65.27 -46.3 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.6 mtp -46.86 -35.55 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.2 -41.2 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -68.91 -25.79 64.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.9 m-85 -135.03 83.35 40.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.656 0.741 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -170.57 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.17 150.88 41.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.86 -15.98 34.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.21 138.0 84.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.091 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.26 4.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.62 24.88 52.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -46.77 -72.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 50.0 m95 -57.25 -28.85 63.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -69.21 -33.26 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.584 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.6 mttm -83.15 -43.07 16.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.451 HG22 ' CG1' ' A' ' 48' ' ' VAL . 95.4 mt -61.67 -37.68 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.92 -47.55 74.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -60.82 -22.46 64.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -85.11 -51.71 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 61.7 mt -71.16 -13.05 61.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.57 21.55 66.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.418 ' NH2' ' HA ' ' A' ' 11' ' ' TRP . 5.0 mtt-85 -117.06 -174.27 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 45' ' ' VAL . 3.5 m -97.58 143.33 28.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 44' ' ' SER . 69.7 t -33.3 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 50' ' ' THR . 4.0 t -45.0 -41.99 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -53.64 -42.32 67.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.451 ' CG1' HG22 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -74.57 -67.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.519 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.49 -45.68 18.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 46' ' ' THR . 70.4 m -57.48 -27.67 62.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.531 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.0 tppt? -85.3 -52.02 6.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.59 80.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.16 -33.72 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 76.6 mt-30 -70.62 -37.17 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.26 -33.38 71.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -72.17 -34.17 68.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 58' ' ' SER . 0.2 OUTLIER -70.18 -46.79 63.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 58.3 m -71.76 80.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.0 m -147.48 167.07 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.7 p -114.13 37.58 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.1 t -79.98 141.84 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.3 p -156.36 150.82 20.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.665 0.745 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -18.36 37.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.1 -161.04 30.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 41.8 ttp -87.77 108.92 19.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.8 m -106.26 151.51 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -98.25 146.53 25.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -129.15 158.6 22.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -3.42 11.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.354 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.6 t -61.32 104.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -168.96 123.36 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -137.68 165.98 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.2 p -165.17 105.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.7 154.82 17.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -120.79 -55.03 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -90.97 85.95 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.11 56.45 0.43 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.27 143.5 6.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.566 0.698 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 169.26 19.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.252 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 16.3 pt-20 -72.59 -177.86 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.521 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 70.8 m95 -95.93 133.17 40.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASP . 67.0 p -120.73 150.24 41.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' THR . 8.1 mt-10 -33.29 -45.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.93 -47.09 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.521 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.57 -29.03 62.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.0 mt -79.84 -27.07 40.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.32 -33.32 22.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.6 mm-40 -67.69 -42.42 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.8 tp -47.02 -51.92 16.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.6 m -50.06 -37.25 32.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -72.5 -46.15 56.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.6 p -60.91 -50.44 73.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.3 mtp -42.24 -36.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.67 -42.01 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -68.41 -26.59 65.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.0 m-85 -134.98 83.77 39.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -169.79 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.749 2.3 . . . . 0.0 112.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.07 149.52 37.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.39 -13.72 49.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.4 137.76 81.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.603 0.716 . . . . 0.0 111.142 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.37 5.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.55 23.64 57.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -45.92 -72.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.518 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 42.4 m95 -56.65 -31.18 64.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.49 -32.67 73.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.5 mttm -83.16 -45.37 14.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.45 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.5 mt -59.18 -37.85 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.5 74.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 7.0 t60 -60.92 -26.61 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -82.36 -50.08 9.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 62.4 mt -70.54 -25.03 62.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.83 13.93 55.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.439 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.516 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 83.4 mtt-85 -112.32 -177.73 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.6 m -89.9 153.44 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.1 t -44.57 -71.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.425 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 4.8 t -47.51 -42.12 22.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -53.73 -41.45 67.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.45 ' CG1' HG21 ' A' ' 37' ' ' ILE . 1.2 t -73.67 -66.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.518 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.8 -45.2 19.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.7 m -58.62 -27.07 64.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.521 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 12.1 tppt? -86.11 -48.77 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.87 92.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -50.16 -32.1 15.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -72.32 -33.28 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.4 mt -73.24 -33.14 65.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -68.81 -47.46 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 58' ' ' SER . 2.2 m-20 -62.03 -48.99 77.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 57' ' ' ASP . 33.9 t -35.86 -43.12 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -111.06 154.4 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.2 p -121.07 100.96 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.1 m -127.25 90.23 3.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.1 p -151.32 144.15 16.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 144.94 55.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.92 -72.06 1.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 51.1 ttm -148.14 148.28 30.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.3 p -93.65 -38.06 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 97.9 p -97.76 153.98 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.1 -93.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 90.89 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.4 m -68.99 102.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.3 p -102.97 101.13 11.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -121.11 145.71 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -62.59 -50.79 69.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.47 154.58 11.91 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -68.24 81.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 p -43.2 -41.39 3.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.35 -94.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.44 145.15 2.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.704 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -177.69 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -84.43 -177.73 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.56 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 73.8 m95 -97.16 135.25 39.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 81.6 p -123.41 150.01 44.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' THR . 7.1 mt-10 -33.47 -37.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' THR . 10.1 tt0 -65.09 -48.77 72.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.56 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.0 -27.91 61.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -81.06 -28.36 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -84.72 -31.77 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.38 -39.37 68.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.4 tp -45.59 -50.26 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 m -54.03 -37.16 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -44.33 73.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.3 p -66.28 -45.66 79.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.4 mtp -46.41 -33.52 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -72.86 -43.01 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -66.2 -25.54 66.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.574 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 11.7 m-85 -134.96 83.22 40.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.642 0.734 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.15 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.3 151.41 46.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.43 -17.47 24.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.8 138.21 90.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 111.077 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 116.57 4.62 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.73 22.84 59.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -45.11 -72.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.52 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 44.1 m95 -56.99 -30.94 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.6 -31.65 71.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.574 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.5 mttt -84.3 -46.84 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.45 HG23 ' CG1' ' A' ' 48' ' ' VAL . 96.8 mt -58.03 -36.73 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.54 -49.55 66.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -60.58 -27.73 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -80.18 -47.75 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.1 mt -73.63 -17.52 61.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.41 14.93 61.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 82.0 mtt-85 -116.95 -175.02 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 22.4 m -95.31 158.3 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.0 t -46.16 -74.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.168 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.436 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 12.4 t -46.35 -39.92 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.06 -38.42 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.45 ' CG1' HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -79.32 -66.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.52 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.68 -49.54 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -57.32 -23.84 51.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.526 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.6 tppt? -88.32 -48.24 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.19 87.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.36 -33.57 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.469 ' CG ' ' HD2' ' A' ' 53' ' ' LYS . 84.2 mt-30 -72.11 -36.78 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.1 mt -72.37 -38.77 68.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -62.96 -37.86 88.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.64 -61.55 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.3 t -73.96 97.41 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.8 p -164.6 154.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.1 p -111.09 87.69 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.5 m -146.59 117.38 7.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.9 p -113.53 80.81 4.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.33 30.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.88 117.83 2.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.28 107.69 5.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.73 -41.4 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 t -67.7 88.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.63 -158.47 0.67 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.11 7.96 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.313 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t -78.82 175.82 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -139.16 155.58 47.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m -66.45 140.75 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.833 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -47.24 144.61 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.36 -131.99 6.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -156.09 146.04 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m 51.95 39.34 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.48 -86.56 0.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.32 143.88 17.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 165.99 29.06 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.44 -177.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.562 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 70.9 m95 -96.19 134.05 39.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' ASP . 64.7 p -121.0 149.32 42.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' THR . 13.1 mt-10 -33.32 -37.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' THR . 19.8 tt0 -64.0 -48.95 74.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -73.8 -32.9 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -74.74 -27.73 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -84.97 -31.44 23.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.06 -37.09 66.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.6 tp -47.0 -59.33 3.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.0 m -45.51 -38.08 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -66.34 -49.18 67.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.8 p -62.02 -46.86 87.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.7 mtp -44.84 -36.22 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.92 -42.26 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -67.4 -26.14 66.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.9 m-85 -135.06 83.67 39.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.68 0.752 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.58 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.32 150.29 43.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 -21.68 11.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.98 138.04 97.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 111.099 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.23 4.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.39 23.35 54.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -43.59 -73.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.526 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 46.0 m95 -56.24 -33.01 65.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -64.89 -32.43 74.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 10.0 mttm -83.62 -45.3 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.454 HG23 ' CG1' ' A' ' 48' ' ' VAL . 96.7 mt -59.64 -37.96 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.5 -49.45 68.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.057 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 12.2 t-160 -61.37 -24.57 66.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -84.67 -48.06 9.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.1 mt -72.49 -24.88 61.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.05 23.42 27.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.425 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 79.8 mtt-85 -122.6 -177.73 3.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 45' ' ' VAL . 4.9 m -91.38 143.49 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' SER . 55.3 t -36.0 -72.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.442 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 3.3 t -46.59 -42.58 16.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.71 -41.29 66.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.454 ' CG1' HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -73.74 -66.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.526 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -47.07 -41.87 17.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.3 m -60.53 -28.26 68.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.509 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 13.0 tppt? -86.15 -49.38 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.62 91.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.53 -33.71 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 29.0 mt-30 -71.04 -34.17 71.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.8 mt -71.86 -41.56 67.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -57.44 -44.07 84.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' SER . 2.8 m-20 -65.35 -42.02 93.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.5 t -34.62 -67.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.5 m -55.08 174.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' CYS . 14.8 t -112.3 41.31 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' THR . 49.3 t -37.18 -55.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.2 p -131.27 144.29 52.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 99.81 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.06 66.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.5 ttt -174.82 141.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.782 0.325 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 p -124.37 145.03 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 p -138.45 168.44 19.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.74 81.2 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.439 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 176.81 6.25 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.7 2.267 . . . . 0.0 112.349 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.2 t -139.61 131.33 27.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.6 p -167.43 113.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -87.4 96.76 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -72.78 89.6 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.22 -83.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -115.08 122.21 45.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 0.0 110.825 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -90.19 176.23 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.47 -175.61 19.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.28 143.57 26.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.551 0.691 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -177.29 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.698 2.265 . . . . 0.0 112.366 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 7.4 pt-20 -82.64 -177.9 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 73.0 m95 -98.09 130.96 44.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.0 p -118.84 150.83 39.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.4 mt-10 -34.83 -39.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.81 -46.04 86.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.536 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -75.13 -27.88 59.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 mt -78.77 -35.58 44.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 -34.53 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -66.32 -42.21 88.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.0 tp -46.81 -50.74 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.5 m -53.02 -35.73 59.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -71.66 -45.66 61.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.8 p -63.6 -47.59 80.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 mtp -44.32 -36.17 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.8 t -70.09 -42.95 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -66.28 -25.99 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.8 m-85 -135.0 83.6 39.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.12 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.48 150.26 41.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.32 -18.38 23.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.3 137.97 94.12 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.576 0.703 . . . . 0.0 111.127 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 116.09 4.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.703 2.268 . . . . 0.0 112.376 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.33 23.58 56.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -44.33 -73.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.512 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 48.8 m95 -56.6 -32.22 65.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -66.35 -31.15 71.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.3 mttm -84.23 -45.81 12.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.449 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.1 mt -59.23 -38.08 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.13 -49.06 71.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -61.08 -24.96 66.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -83.11 -50.45 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.93 -23.56 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.12 15.84 55.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 84.2 mtt-85 -114.6 -174.81 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.7 m -92.66 145.2 24.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -38.93 -72.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.435 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 9.6 t -47.48 -39.15 15.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -56.9 -40.8 76.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' CG1' HG21 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -73.83 -65.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.512 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -47.94 -43.39 29.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.9 m -60.39 -25.45 65.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.567 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tppt? -89.33 -49.53 6.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.73 -36.08 73.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -31.73 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -73.65 -19.82 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.4 mt -86.58 -37.62 17.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -66.51 -23.74 66.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -80.03 -61.18 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.2 t -73.06 102.4 3.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.446 HG11 ' N ' ' A' ' 60' ' ' THR . 87.0 t -116.91 136.73 53.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.446 ' N ' HG11 ' A' ' 59' ' ' VAL . 73.3 p -124.26 81.84 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.3 t -92.66 -54.54 3.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.0 p -58.85 142.01 84.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.71 0.767 . . . . 0.0 110.829 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 151.3 69.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -42.51 136.71 3.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.421 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -158.06 155.35 29.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.6 p -105.94 132.14 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.3 t -148.6 130.21 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.83 -72.83 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.85 140.08 41.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.228 . . . . 0.0 112.292 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -107.14 172.55 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.0 p -94.03 130.77 40.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p 42.31 42.44 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.822 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -57.93 99.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.06 58.32 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p -105.43 -40.21 5.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.833 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 t -83.19 -49.21 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.13 -163.11 20.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.01 148.87 37.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.69 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 158.59 56.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.38 -178.09 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.522 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 70.7 m95 -97.25 134.97 39.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASP . 61.2 p -122.03 149.54 43.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.5 mt-10 -33.11 -43.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -59.62 -47.67 84.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.522 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.18 -30.04 63.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -77.8 -29.63 50.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.77 -33.79 27.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 3.8 mm-40 -66.63 -40.31 88.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 tp -49.52 -46.85 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.4 m -56.41 -31.78 64.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -78.78 -43.4 25.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 p -64.94 -48.55 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.6 mtp -44.47 -35.34 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.4 t -70.84 -42.07 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -67.51 -25.9 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.4 m-85 -135.05 83.68 39.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -170.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.97 150.47 41.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.62 -21.61 10.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.46 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.7 138.0 97.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.573 0.702 . . . . 0.0 111.141 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 24.63 44.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -44.53 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.349 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.518 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 41.8 m95 -56.92 -31.72 65.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.62 -31.28 71.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.1 mttm -84.31 -45.3 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.448 HG23 ' CG1' ' A' ' 48' ' ' VAL . 96.3 mt -59.98 -37.35 72.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -49.37 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.045 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 2.2 t60 -59.8 -28.83 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -80.16 -50.28 10.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 50.1 mt -70.35 -24.41 62.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.85 22.92 34.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.467 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 81.1 mtt-85 -120.56 -177.25 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' VAL . 5.1 m -91.41 143.7 26.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' SER . 42.1 t -35.97 -74.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.465 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 7.1 t -45.42 -40.51 8.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.95 -43.93 70.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.448 ' CG1' HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -71.93 -66.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.518 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.97 -41.43 16.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 m -61.67 -28.43 69.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.512 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.9 tppt? -85.81 -46.25 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.15 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.21 -36.24 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.415 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 36.7 mt-30 -68.81 -43.72 75.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.82 -42.61 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -49.25 -46.81 46.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -76.69 -42.75 40.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.8 t -40.28 -49.96 2.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.4 m -76.36 170.14 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.5 p -132.66 -45.68 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.6 t 52.21 40.67 29.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -98.91 154.38 37.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -1.43 8.44 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 154.17 171.61 21.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.6 mmt -44.46 165.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.1 p -95.03 151.09 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.5 t -104.96 166.91 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.24 -157.86 16.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 148.49 64.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.305 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.0 p -105.91 164.53 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.6 m -55.88 135.28 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -131.01 88.93 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -77.34 163.81 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.0 -57.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -121.67 -57.64 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.832 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t 40.37 42.76 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.17 -126.8 3.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.28 145.99 7.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -175.49 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.65 -177.86 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.572 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 69.3 m95 -96.98 132.47 42.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' ASP . 59.8 p -118.87 150.06 40.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.0 mt-10 -33.8 -42.65 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -60.81 -47.16 87.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.545 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.88 -28.73 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 mt -78.7 -30.73 46.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.24 -33.88 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -66.94 -41.36 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -47.03 -51.0 18.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.5 m -52.02 -33.49 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -75.39 -45.84 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -62.31 -48.58 79.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.1 mtt -44.53 -36.43 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.34 -42.12 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -67.72 -26.34 66.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.2 m-85 -135.05 83.73 38.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.07 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.21 150.04 44.98 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.59 -15.99 38.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.493 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.71 137.81 85.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 117.96 5.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.17 22.86 60.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -44.76 -72.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.513 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 33.9 m95 -55.99 -33.07 64.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -65.45 -32.65 74.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.8 mttm -83.23 -44.83 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.21 -38.0 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -47.48 75.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -62.55 -24.75 67.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -83.48 -50.61 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.2 -20.84 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.26 11.12 60.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.562 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 82.1 mtt-85 -111.76 -175.21 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.413 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 3.3 m -94.11 160.07 14.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.445 HG11 ' N ' ' A' ' 46' ' ' THR . 24.8 t -47.86 -74.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.445 ' N ' HG11 ' A' ' 45' ' ' VAL . 7.9 t -46.6 -39.23 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -55.57 -42.83 75.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 44' ' ' SER . 1.3 t -73.98 -65.3 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.513 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -48.15 -47.95 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 46' ' ' THR . 95.9 m -56.64 -27.38 58.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.572 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -85.96 -50.6 6.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.89 88.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -50.36 -32.11 16.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.464 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 40.1 mt-30 -75.17 -24.96 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.5 mt -87.37 -38.61 16.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -72.1 -37.07 69.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -74.1 -51.31 16.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -62.26 86.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.0 m -133.37 -177.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.0 p -120.69 86.31 2.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.6 t -134.52 145.19 48.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.7 p -43.8 149.52 0.64 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -22.75 31.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 0.0 112.374 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.37 135.01 2.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.3 ttm -114.08 114.22 25.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.41 -8.52 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -85.07 165.48 17.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.58 169.43 28.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 89.08 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t 58.48 43.2 19.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.0 p -164.46 149.69 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -94.68 122.73 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.882 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -62.91 -35.65 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.25 85.89 0.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -94.83 43.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -95.22 130.25 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.64 -71.46 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.85 148.05 1.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.56 0.695 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -170.03 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.238 . . . . 0.0 112.358 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.6 pt-20 -87.55 -177.72 5.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 74.6 m95 -99.42 134.08 42.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' ASP . 72.9 p -122.11 148.76 44.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.1 mt-10 -32.45 -37.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 12' ' ' THR . 3.2 tp10 -63.56 -51.02 67.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.531 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -71.69 -35.25 70.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 mt -71.09 -26.44 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -84.2 -31.05 25.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.6 mt-30 -71.16 -41.79 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.7 tp -46.56 -47.15 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.6 m -59.22 -31.27 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -77.75 -42.87 32.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 p -66.7 -47.54 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mtp -44.49 -34.68 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.0 t -70.63 -42.38 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -67.45 -26.42 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.8 m-85 -134.99 83.79 39.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -174.88 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.258 . . . . 0.0 112.313 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.33 150.71 47.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.71 -18.51 19.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.01 137.45 95.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.541 0.686 . . . . 0.0 111.186 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 111.76 2.9 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.7 21.08 52.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -43.89 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.516 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 40.8 m95 -55.41 -32.63 62.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -66.6 -31.43 72.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.5 mttt -84.68 -45.09 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.446 HG23 ' CG1' ' A' ' 48' ' ' VAL . 96.5 mt -60.07 -37.38 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.15 -48.55 70.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -60.57 -26.35 66.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.69 -50.13 9.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 48.6 mt -70.02 -24.56 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.69 17.9 46.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.477 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 75.3 mtt-85 -116.21 -176.01 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' VAL . 3.1 m -93.99 144.14 25.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' SER . 16.5 t -35.2 -74.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.472 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 13.5 t -45.04 -41.8 7.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -53.86 -42.5 68.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.446 ' CG1' HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -73.84 -65.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.516 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.63 -41.0 14.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 79.8 m -62.49 -28.67 69.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.517 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.3 tppt? -85.46 -48.13 9.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.44 92.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.56 -39.01 15.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.468 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 36.5 mt-30 -64.84 -37.87 89.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.9 mt -68.65 -44.22 74.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -53.94 -51.58 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.41 -54.88 10.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -73.64 102.46 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.87 166.13 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.9 p -127.08 99.84 5.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.2 t -111.83 -59.06 2.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -90.07 143.69 30.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.907 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.47 131.63 2.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -91.67 160.55 15.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.6 p -67.06 -22.18 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -47.93 142.11 5.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.24 -158.06 8.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.3 p -151.0 -176.35 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -142.38 156.92 45.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 t -129.72 -48.48 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -101.62 104.33 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.62 87.36 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m 44.69 43.21 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.823 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -89.86 126.96 35.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -163.33 27.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.6 148.87 65.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.38 6.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.1 pt-20 -83.24 -177.74 6.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.563 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 71.3 m95 -101.16 133.9 45.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.0 p -120.1 149.09 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.3 mt-10 -33.15 -43.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -60.45 -48.71 80.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.524 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -72.09 -28.34 63.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.82 -30.12 40.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.1 -33.8 29.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 5.4 mm100 -67.08 -43.88 81.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 tp -44.57 -46.96 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.0 m -57.95 -32.76 68.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -76.96 -42.17 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.3 p -66.78 -46.56 74.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.5 mtt -45.64 -35.81 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.3 t -69.86 -42.96 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -66.4 -26.04 67.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.1 m-85 -134.98 83.6 39.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -171.82 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.64 151.15 44.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.8 -20.79 10.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.51 137.84 97.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 112.56 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.88 25.49 37.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -46.31 -72.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.522 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 40.8 m95 -57.41 -29.35 64.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -69.05 -32.08 71.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.8 mttt -83.63 -46.09 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.445 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.7 mt -58.56 -38.58 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.84 -48.83 72.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -59.83 -28.54 67.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -80.75 -51.22 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 54.2 mt -69.14 -24.67 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.22 22.81 31.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.514 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 82.5 mtt-85 -121.81 -176.23 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 45' ' ' VAL . 21.2 m -94.47 145.49 24.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.439 HG12 ' CB ' ' A' ' 34' ' ' TRP . 88.9 t -36.5 -74.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.416 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 2.6 t -44.66 -42.24 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.35 -42.53 70.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.445 ' CG1' HG21 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -74.5 -67.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.522 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -46.29 -43.46 15.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.182 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' THR . 77.3 m -61.43 -28.0 68.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 10.7 tppt? -84.66 -48.59 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.68 -47.33 86.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -33.35 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -71.57 -43.61 66.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.3 -40.05 95.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -52.79 -41.73 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' SER . 22.2 t0 -78.16 -45.95 21.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.827 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' ASP . 42.3 t -35.4 -60.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.6 m -51.89 175.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.7 t -108.23 41.12 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.7 m -129.15 88.88 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.5 p -140.78 143.9 33.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.882 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -175.07 1.04 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.78 175.58 24.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' VAL . 1.3 mpt? -97.91 81.57 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' MET . 32.7 m 34.22 39.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 p -104.7 136.59 43.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.2 151.46 16.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -48.76 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 81.0 p -112.27 114.13 26.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.2 p -84.49 -24.91 29.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -82.33 103.55 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m 52.12 47.92 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.35 116.47 1.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -65.19 -50.54 65.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -92.1 -55.63 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.74 -79.88 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.72 142.41 28.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.711 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 172.61 12.34 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.739 2.293 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -70.46 -177.84 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.547 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 71.9 m95 -97.07 129.33 44.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' ASP . 71.1 p -117.2 150.63 38.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.8 mt-10 -34.18 -40.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -62.85 -47.11 84.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.547 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.58 -28.48 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.0 -27.62 33.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -85.43 -31.97 22.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.04 -45.62 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -41.78 -53.57 3.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.6 m -48.48 -35.38 12.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -74.25 -47.44 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.1 p -60.12 -47.78 84.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.6 mtp -44.57 -36.45 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.54 -42.64 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -66.96 -26.5 66.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.5 m-85 -134.95 83.93 38.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.719 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -173.28 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.55 151.48 46.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.55 -21.43 8.98 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.55 138.1 97.27 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.542 0.687 . . . . 0.0 111.17 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.02 2.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.94 25.45 37.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -45.64 -72.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.515 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 38.4 m95 -57.01 -30.7 64.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -67.67 -31.99 72.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.3 mttm -83.74 -44.68 14.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.45 HG22 ' CG1' ' A' ' 48' ' ' VAL . 95.3 mt -60.85 -39.02 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.37 79.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 6.8 t60 -61.28 -28.1 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.22 -51.3 8.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.7 mt -68.64 -21.52 64.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.0 19.57 50.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 83.1 mtt-85 -119.17 -174.83 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.413 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 75.0 m -93.07 157.93 16.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 46' ' ' THR . 22.9 t -48.92 -74.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.464 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 5.5 t -45.61 -39.12 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -47.41 78.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.45 ' CG1' HG22 ' A' ' 37' ' ' ILE . 1.1 t -68.81 -65.21 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.515 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -46.94 -51.58 16.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -53.64 -23.99 12.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.1 tppt? -89.34 -50.24 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.84 76.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.092 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -54.76 -39.46 68.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.469 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 45.7 mt-30 -65.1 -20.89 66.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.5 mt -81.97 -32.93 30.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -77.19 -23.72 51.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -77.77 -51.41 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -89.45 88.94 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.65 174.42 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 61' ' ' CYS . 8.4 t -108.91 -40.7 4.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.421 ' N ' HG22 ' A' ' 60' ' ' THR . 50.6 t -66.48 99.6 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.8 p -164.26 153.38 11.78 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -0.03 6.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.6 -140.23 14.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -138.08 145.91 42.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.7 t -93.6 104.57 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.4 t -122.86 152.83 40.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.56 83.61 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.28 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t 60.91 39.85 16.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.4 m -134.29 -49.23 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -54.08 -44.28 71.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 t -62.83 158.49 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.31 158.58 27.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -110.84 124.0 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.836 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -86.69 96.66 10.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.92 53.57 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.66 143.81 10.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 157.95 58.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.6 pt-20 -63.33 -177.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 79.4 m95 -102.08 120.56 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' ASP . 69.5 p -120.19 155.19 33.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.5 mt-10 -33.75 -36.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' THR . 38.6 tt0 -64.5 -48.99 73.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.574 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.7 m-20 -74.15 -31.66 62.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.72 -26.89 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -84.97 -32.76 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -69.57 -36.83 76.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.6 tp -53.35 -51.86 61.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 m -50.19 -30.66 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -77.21 -47.42 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 p -62.8 -47.74 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.1 mtp -45.21 -36.01 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.94 -42.2 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -67.78 -26.01 65.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 6.9 m-85 -134.99 83.49 39.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -174.12 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.85 150.48 46.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.34 -20.03 15.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.44 137.89 96.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 113.94 3.53 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.8 23.86 48.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -44.78 -73.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.518 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 45.5 m95 -55.87 -31.85 63.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.89 -31.84 72.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.576 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.1 mttm -83.88 -45.43 13.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.458 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.7 mt -59.58 -41.28 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.47 79.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 5.4 t60 -59.98 -24.66 64.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.77 -49.17 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.04 -14.9 61.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.8 18.8 71.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 7.4 mtt-85 -112.8 -174.73 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' VAL . 50.1 m -94.58 139.7 30.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 44' ' ' SER . 19.3 t -33.59 -74.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.449 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 7.4 t -45.89 -40.46 10.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -54.06 -46.62 72.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.458 ' CG1' HG21 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -68.86 -66.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.518 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.63 -47.58 20.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -58.2 -25.35 61.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 3.4 tppt? -87.17 -49.35 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.3 93.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HD2' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.36 -34.22 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.45 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 71.9 mt-30 -70.61 -39.95 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.7 mt -67.0 -36.81 82.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -60.48 -53.6 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -58.96 -44.07 91.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -61.33 86.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -139.76 177.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.4 p -107.55 90.03 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 62' ' ' SER . 52.4 t -156.65 135.83 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' CYS . 38.7 m -36.91 123.15 0.81 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.687 0.756 . . . . 0.0 110.834 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 166.42 27.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.75 152.76 19.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 32.2 mtt -103.41 -47.34 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 p -106.13 136.08 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -101.51 96.67 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.99 -157.53 31.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 128.2 15.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.635 2.223 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 m -61.96 130.81 47.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -171.83 157.2 4.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -96.27 -44.3 7.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 0.0 110.896 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -59.45 117.04 4.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.3 -178.62 32.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -130.01 107.04 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.367 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -172.99 121.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.66 135.24 2.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.26 143.93 29.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.08 35.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 23.2 pm0 -67.3 -177.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 72.4 m95 -97.4 134.82 40.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 73.0 p -122.67 150.34 42.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.2 mt-10 -33.9 -41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.21 -47.16 85.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.534 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.25 -28.81 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -78.12 -32.97 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.63 -33.13 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -67.04 -39.46 86.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 tp -49.68 -50.59 43.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.1 m -51.79 -33.05 33.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -75.26 -44.74 44.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.3 p -64.36 -47.99 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.3 mtp -44.68 -34.86 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.54 -42.5 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -67.45 -26.01 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.6 m-85 -134.88 83.39 40.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.74 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -173.67 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.24 150.84 46.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.07 -19.63 16.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.15 138.06 95.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 114.91 3.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.749 2.299 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.57 23.69 52.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -45.06 -72.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.519 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 40.9 m95 -56.44 -30.31 62.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.46 -31.75 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.576 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 13.0 mttt -83.71 -45.36 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.444 HG22 ' CG1' ' A' ' 48' ' ' VAL . 96.5 mt -59.33 -38.36 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.95 -48.86 72.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -59.88 -28.54 67.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -80.68 -50.11 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.43 -23.96 62.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.4 19.19 42.57 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 85.7 mtt-85 -118.92 -177.35 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' VAL . 3.4 m -93.04 142.97 26.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' SER . 74.9 t -35.39 -72.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.449 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 4.2 t -44.57 -44.74 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -53.29 -40.28 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.444 ' CG1' HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -75.29 -66.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.519 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -46.07 -43.93 15.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -59.32 -28.68 67.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.561 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 1.4 tppm? -86.66 -49.29 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.85 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -49.97 -35.39 24.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 35.6 mt-30 -69.36 -39.29 78.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.58 -44.08 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -52.03 -44.29 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.43 -44.88 64.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.8 t -39.68 -51.65 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -73.49 151.46 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 t -121.48 125.95 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.3 p -161.19 132.07 5.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.5 p -159.81 148.14 13.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.676 0.75 . . . . 0.0 110.89 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -173.37 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.254 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.68 45.29 3.09 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.2 mtm -79.72 88.77 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.5 m -153.49 169.64 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.1 m -93.36 173.6 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.28 -73.59 1.04 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 131.34 21.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.1 m -88.05 157.95 18.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -54.19 168.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -82.89 113.19 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -117.93 82.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.24 41.99 84.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 p -118.82 126.34 51.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -84.09 49.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.39 145.19 4.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -165.66 143.93 4.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.58 33.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 11.0 pt-20 -70.21 -177.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 72.4 m95 -96.08 133.19 40.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 15' ' ' ASP . 73.9 p -122.24 150.54 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.3 mt-10 -33.61 -37.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' THR . 25.8 tt0 -63.99 -48.42 76.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.568 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.4 -31.0 62.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.14 -26.88 48.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -85.32 -32.12 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 3.5 mm-40 -69.3 -42.74 75.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -46.61 -49.9 18.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.5 m -55.16 -30.81 60.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -79.87 -42.97 23.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.8 p -65.05 -48.32 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.1 mtp -43.78 -36.1 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.17 -42.5 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -67.59 -26.12 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 6.4 m-85 -134.98 83.57 39.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.716 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -170.62 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.15 152.0 44.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.01 -23.52 5.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.56 137.92 92.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 111.14 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 110.14 2.46 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.91 27.34 29.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -46.15 -72.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.517 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 45.1 m95 -57.03 -30.25 64.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -67.51 -33.36 74.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 10.3 mttm -82.03 -45.41 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.441 HG23 ' CG1' ' A' ' 48' ' ' VAL . 96.5 mt -58.99 -38.95 76.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.23 80.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -60.79 -28.77 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -81.19 -51.49 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 69.4 mt -67.75 -27.0 66.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.3 20.37 35.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 79.4 mtt-85 -118.23 -176.13 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 45' ' ' VAL . 2.3 m -92.14 143.65 26.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 44' ' ' SER . 41.9 t -36.12 -73.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.433 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 2.8 t -48.87 -35.73 15.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -58.98 -39.0 80.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.441 ' CG1' HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.8 -65.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.517 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -47.8 -43.1 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.7 m -62.08 -25.0 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.532 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 11.9 tppt? -86.77 -42.69 13.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.01 -45.46 88.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.19 -33.09 7.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 36.9 mt-30 -70.62 -40.09 73.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.64 -41.02 94.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -46.67 -44.32 18.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -71.23 -52.64 17.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.3 t -45.88 -62.18 1.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.6 m -54.9 176.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.9 p -108.43 85.21 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.4 m -112.42 -55.2 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.0 p -125.99 78.62 69.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 158.54 56.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.8 -138.85 10.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 mmt -104.64 129.03 52.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.2 m -108.81 40.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -70.98 -43.71 67.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.42 -151.85 42.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -173.27 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.334 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -150.54 123.32 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -91.58 122.93 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -156.39 127.6 7.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -89.6 135.62 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.72 143.01 34.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.455 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -105.83 -49.16 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -109.58 -41.91 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.62 135.72 12.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.96 148.88 98.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.45 65.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 13.8 pt-20 -73.73 -177.88 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.557 ' CH2' ' HD2' ' A' ' 43' ' ' ARG . 71.5 m95 -100.65 132.33 46.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 15' ' ' ASP . 65.1 p -120.75 150.7 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' THR . 7.4 mt-10 -34.33 -44.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -59.06 -45.14 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.7 OUTLIER -74.95 -30.54 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 mt -78.76 -27.17 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.91 -33.0 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.458 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.0 mm100 -69.04 -40.64 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 tp -47.34 -59.44 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.8 m -46.32 -35.02 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -75.02 -46.13 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.7 p -61.45 -46.0 91.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.8 mtp -45.3 -35.58 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.84 -41.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -67.52 -26.02 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.7 m-85 -135.01 83.47 39.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -174.62 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.72 150.96 47.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.12 -19.61 16.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.06 138.08 96.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 111.175 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 113.27 3.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.84 26.55 37.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -47.69 -72.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.329 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.513 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 34.1 m95 -58.29 -27.09 63.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -70.8 -32.91 70.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.9 mttt -83.41 -44.94 14.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.447 HG23 ' CG1' ' A' ' 48' ' ' VAL . 96.5 mt -59.26 -37.07 66.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.33 67.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.456 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 3.5 t60 -59.68 -27.83 66.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.56 -49.95 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 82.8 mt -71.53 -22.1 61.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.98 19.62 50.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.557 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 69.3 mtt-85 -117.68 -174.98 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.353 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.446 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 13.4 m -91.39 156.85 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 46' ' ' THR . 24.4 t -50.23 -74.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.461 ' N ' HG13 ' A' ' 45' ' ' VAL . 8.8 t -46.93 -36.47 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' N ' HG21 ' A' ' 46' ' ' THR . 0.6 OUTLIER -57.82 -43.99 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -71.01 -65.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.513 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -47.42 -41.82 20.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.9 m -62.93 -26.68 68.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.6 tppt? -87.17 -45.78 10.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.29 97.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -53.29 -34.15 56.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.41 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 61.4 mt-30 -70.79 -22.93 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.0 mt -83.21 -36.96 24.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -71.64 -23.4 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -82.47 -50.81 8.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 m -62.55 103.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.5 t -149.0 137.55 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.3 t -124.44 111.86 16.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.26 156.13 42.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.1 t -70.47 140.86 87.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.72 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -175.32 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.92 130.7 1.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.409 ' HA ' ' CE ' ' A' ' 65' ' ' MET . 1.6 tpt -97.55 113.24 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -75.99 -38.3 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -87.19 153.89 21.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.78 84.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 -12.5 33.05 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.28 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.5 t -120.39 74.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.3 p -61.06 118.19 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 m -111.31 167.73 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -98.91 113.75 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.53 174.17 39.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -153.16 140.93 20.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.39 . . . . 0.0 110.81 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -43.26 -52.93 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.22 -161.7 27.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.78 144.2 93.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 161.94 43.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -69.24 -177.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.557 ' CH2' ' HD2' ' A' ' 43' ' ' ARG . 71.7 m95 -97.76 131.76 43.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' ASP . 72.3 p -119.47 150.12 40.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.2 mt-10 -33.76 -42.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.89 -46.86 88.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.526 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.79 -29.21 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.64 -30.64 46.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.71 -33.86 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -69.33 -39.66 78.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.0 tp -45.09 -55.23 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.0 m -50.09 -40.52 45.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -64.62 -46.11 84.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.3 p -65.04 -45.8 83.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.1 mtp -45.62 -34.79 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.81 -42.86 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -66.02 -25.41 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 10.1 m-85 -135.0 83.21 40.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.667 0.746 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -171.58 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.88 150.99 43.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.64 -18.7 18.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.97 137.59 94.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.591 0.71 . . . . 0.0 111.176 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 115.49 4.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.02 24.29 52.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -44.78 -73.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.515 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 37.9 m95 -57.07 -31.37 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.32 -30.82 70.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.8 mttm -84.36 -45.09 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.451 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.6 mt -60.14 -37.88 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.89 -49.37 70.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.092 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.99 -29.78 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.02 -50.55 10.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.0 mt -69.78 -23.26 63.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.86 15.6 53.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.557 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 85.7 mtt-85 -116.02 -176.34 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.422 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 2.9 m -91.59 159.21 16.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.1 t -48.09 -74.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.47 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 11.3 t -46.64 -40.24 12.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.94 -40.27 66.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.451 ' CG1' HG21 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -77.68 -67.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.515 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -46.29 -46.4 17.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 46' ' ' THR . 97.4 m -57.92 -28.72 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.514 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 13.1 tppt? -85.8 -51.25 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.17 -45.11 83.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -32.81 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -71.77 -33.51 68.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.5 mt -73.79 -38.36 64.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -65.79 -42.03 91.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.46 -60.04 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 m -60.42 103.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.6 t -129.81 138.41 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.6 p -120.62 107.38 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.3 m -154.15 131.74 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 93.7 p -72.97 144.4 85.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.712 0.768 . . . . 0.0 110.806 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' GLY . 53.8 Cg_endo -69.79 159.13 54.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 63' ' ' PRO . . . 35.09 -149.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 45.0 mtm -119.42 139.38 52.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.309 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.8 m -91.23 125.28 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.6 m -130.93 -53.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 143.07 83.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 143.24 50.36 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -106.29 94.44 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -148.6 165.68 30.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -133.42 118.89 18.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -120.64 120.38 35.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.0 -129.14 5.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -71.18 91.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -150.52 155.31 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.4 -124.8 0.73 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 142.05 91.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.708 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.2 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 8.8 pt-20 -80.14 -177.89 6.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.554 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 73.8 m95 -97.17 130.53 44.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ASP . 57.2 p -118.96 150.74 39.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.3 mt-10 -33.94 -43.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -61.11 -46.67 89.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.513 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.94 -27.55 61.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -80.74 -29.52 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -33.65 27.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -68.76 -39.45 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -47.89 -47.45 31.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -55.21 -31.57 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? -75.83 -43.39 46.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 p -66.12 -46.45 77.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.3 mtp -46.22 -35.07 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -70.25 -42.35 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -67.45 -26.39 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.577 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.2 m-85 -133.92 83.04 47.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -173.86 0.79 Allowed 'Trans proline' 0 N--CA 1.466 -0.132 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.53 149.69 43.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.34 -15.1 41.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.45 137.65 86.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 115.81 4.27 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.4 ' C ' ' HD2' ' A' ' 36' ' ' LYS . . . 82.66 21.91 59.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -44.25 -72.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.518 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 43.7 m95 -55.08 -34.33 63.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -65.34 -31.24 72.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 7.3 mttm -83.9 -46.0 12.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.452 HG21 ' CG1' ' A' ' 48' ' ' VAL . 96.5 mt -58.64 -37.81 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.67 -48.46 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.062 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.97 -25.19 66.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -83.22 -50.47 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.1 mt -71.23 -22.48 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.31 22.51 34.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.549 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 87.4 mtt-85 -120.44 -175.2 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.2 m -94.0 149.77 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 t -40.47 -72.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.47 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 8.4 t -47.96 -40.31 21.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.89 -38.32 67.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.452 ' CG1' HG21 ' A' ' 37' ' ' ILE . 1.1 t -78.09 -65.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.518 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.83 -42.32 17.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -62.97 -27.21 69.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.554 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 14.5 tppt? -86.33 -49.17 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.97 92.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -31.47 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -73.28 -34.51 65.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.9 mt -73.62 -33.62 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -72.25 -32.77 66.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 58' ' ' SER . 0.2 OUTLIER -69.2 -44.79 71.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 15.4 t -48.18 -54.25 14.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.6 m -80.89 170.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.76 -51.11 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.2 t 57.58 51.79 9.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.7 p -51.71 145.86 15.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -33.84 15.77 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.07 114.55 1.59 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.3 tpp -44.74 125.4 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.2 t -73.0 85.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -155.72 165.42 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.83 -81.22 1.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 2.227 . . . . 0.0 112.342 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.8 p -160.02 157.61 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 t -59.74 163.49 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -96.54 112.3 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 110.848 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -168.36 173.61 7.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.84 178.31 1.0 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -104.12 107.88 18.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.821 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -145.85 137.21 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.15 -98.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.13 143.41 1.03 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.599 0.714 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.79 48.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.315 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -51.59 -177.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.541 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 76.0 m95 -101.35 120.95 41.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 15' ' ' ASP . 63.7 p -114.32 152.25 31.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.0 mt-10 -33.41 -42.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.79 -47.58 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.541 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.8 m-20 -73.56 -38.1 65.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.39 -35.66 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.73 -33.87 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.465 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 2.7 mm-40 -65.17 -38.19 89.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.95 -53.87 50.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -46.77 -30.53 2.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -77.57 -48.54 16.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.6 p -61.22 -48.4 81.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 mtp -44.9 -36.92 3.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.02 -41.93 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -68.86 -25.73 64.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.9 m-85 -134.46 82.87 44.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.675 0.75 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -173.45 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.76 149.79 43.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.87 -12.76 51.91 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.518 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.18 137.78 78.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.566 0.698 . . . . 0.0 111.149 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 117.34 5.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.74 22.83 61.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -45.45 -72.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.811 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.474 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 38.7 m95 -55.66 -31.97 62.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -67.46 -31.85 72.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.3 mttm -83.41 -45.06 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.449 HG22 ' CG1' ' A' ' 48' ' ' VAL . 96.7 mt -58.43 -42.73 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.29 77.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -58.94 -21.71 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.813 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -87.96 -45.96 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 57.3 mt -76.57 -18.86 58.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.98 21.19 57.9 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 11.3 mtt-85 -115.57 -175.16 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' VAL . 3.4 m -93.56 140.97 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 46' ' ' THR . 24.4 t -35.16 -74.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.462 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 4.1 t -46.33 -41.51 13.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -53.21 -43.69 67.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' CG1' HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -70.47 -65.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.474 ' HB ' ' CE2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -48.03 -38.45 17.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.9 m -63.18 -28.11 69.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.498 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 12.9 tppt? -85.49 -48.08 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.97 94.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.55 -35.28 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.463 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 46.2 mt-30 -70.6 -28.27 64.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.7 mt -84.39 -39.12 19.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -77.89 -36.74 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' N ' ' HD2' ' A' ' 56' ' ' LYS . 17.8 t0 -75.18 -47.94 25.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.0 t -80.01 84.29 5.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.7 m -100.6 173.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.53 84.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.1 m -112.37 143.59 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.9 t -112.17 79.37 2.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.692 0.758 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 102.88 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.87 100.5 2.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 ttt -78.37 -45.74 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 p -136.55 141.59 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.6 p -81.99 118.77 23.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.2 -68.11 1.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 123.86 10.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.236 . . . . 0.0 112.323 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.1 m -128.63 162.65 26.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.3 m -116.54 -56.69 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 22.8 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 74.2 m95 -96.66 134.16 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 15' ' ' ASP . 81.5 p -123.71 150.38 44.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 12' ' ' THR . 12.4 mt-10 -32.89 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' THR . 1.0 OUTLIER -64.18 -49.57 71.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.581 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.37 -28.97 62.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD21 ' HZ3' ' A' ' 51' ' ' LYS . 19.1 mt -79.75 -26.77 40.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -86.12 -31.88 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -71.49 -40.34 70.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.3 tp -45.06 -52.1 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -51.56 -36.51 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -69.76 -45.08 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.494 ' OG ' HG23 ' A' ' 37' ' ' ILE . 66.4 p -65.03 -47.34 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.6 mtp -45.52 -35.34 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.68 -41.96 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -68.3 -25.65 65.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.577 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.2 m-85 -134.89 83.03 41.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -167.85 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.371 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.41 149.58 35.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.16 -20.09 18.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.26 137.81 96.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.577 0.703 . . . . 0.0 111.171 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 114.5 3.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.18 24.09 49.27 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -44.52 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.525 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 46.2 m95 -56.23 -32.04 64.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -66.9 -31.15 71.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 7.4 mttm -84.28 -45.75 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.533 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -59.33 -37.2 67.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.626 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.0 -48.56 70.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -60.73 -25.7 66.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -83.61 -50.56 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.4 mt -69.28 -26.4 64.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.9 23.8 24.52 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.626 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 80.0 mtt-85 -123.7 -176.7 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' VAL . 2.1 m -93.31 142.38 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.598 ' O ' HG22 ' A' ' 49' ' ' THR . 18.0 t -33.92 -72.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.456 ' N ' HG12 ' A' ' 45' ' ' VAL . 3.5 t -47.3 -38.55 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -58.43 -38.26 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.533 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -78.1 -66.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.68 -43.98 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.2 m -59.81 -27.52 66.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' HZ3' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -86.41 -48.13 8.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.34 94.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.9 pt-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.59 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 76.0 m95 -99.75 120.25 39.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 15' ' ' ASP . 44.3 p -115.89 154.1 30.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.1 mt-10 -33.96 -42.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -60.76 -46.91 88.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.535 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.4 m-20 -73.79 -28.89 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.96 -30.42 44.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.3 -34.27 32.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -67.17 -37.19 83.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.7 tp -53.68 -58.0 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 m -44.11 -39.57 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -68.49 -50.07 55.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' LYS . 2.9 p -59.22 -50.51 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.0 mtp -42.24 -34.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.1 -40.29 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' SER . 46.0 tttm -69.58 -24.85 63.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.0 m-85 -135.03 82.5 42.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -176.89 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.6 148.39 46.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.32 -15.33 45.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -69.52 137.55 88.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.58 0.705 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 112.59 3.12 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.73 2.287 . . . . 0.0 112.295 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.26 26.95 34.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -48.78 -71.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.49 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 34.9 m95 -57.71 -27.2 62.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.52 -33.62 69.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.584 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.0 mttm -82.57 -45.01 15.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.615 HG22 HG11 ' A' ' 48' ' ' VAL . 85.1 mt -57.53 -41.78 79.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -62.62 -50.09 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -58.56 -21.37 52.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.92 -45.65 9.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.2 mt -76.03 -14.4 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.62 20.66 65.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.488 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.56 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 8.3 mtt-85 -118.56 -175.09 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.748 ' O ' HG23 ' A' ' 48' ' ' VAL . 26.5 m -91.86 152.7 19.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.523 ' O ' HG22 ' A' ' 49' ' ' THR . 16.2 t -44.5 -69.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.427 ' HA ' HG23 ' A' ' 49' ' ' THR . 3.1 t -50.57 -41.19 54.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -54.16 -37.75 64.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 44' ' ' SER . 1.3 t -75.52 -67.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -47.34 -44.39 23.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -57.49 -27.24 62.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.59 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.3 tppt? -85.54 -47.61 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -45.71 93.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 18.1 pt-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.853 0.359 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 73.5 m95 -97.04 134.09 40.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.3 p -123.02 150.65 42.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.167 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.2 mt-10 -33.74 -37.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' THR . 3.8 tp10 -64.31 -48.39 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.574 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -74.35 -28.26 61.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.32 -29.69 38.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 m -83.65 -31.72 26.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -73.12 -39.14 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.408 ' CD1' HD11 ' A' ' 41' ' ' LEU . 43.7 tp -44.52 -49.98 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 m -56.33 -34.65 66.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -70.39 -44.08 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 p -68.41 -43.3 77.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.3 mtt -48.63 -32.45 8.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.7 t -73.11 -42.53 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -66.41 -24.93 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.1 m-85 -135.02 82.85 41.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -174.34 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.76 150.36 46.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.14 -16.87 31.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.22 137.23 89.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.689 . . . . 0.0 111.124 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.91 4.31 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 22.22 57.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -44.15 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.753 ' HB3' HG13 ' A' ' 45' ' ' VAL . 39.6 m95 -55.69 -32.8 63.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 45' ' ' VAL . 18.8 mt-10 -66.66 -30.87 71.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.4 mttm -84.27 -45.33 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.481 HG22 HG11 ' A' ' 48' ' ' VAL . 96.6 mt -59.56 -38.2 74.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.701 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.56 -49.53 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -59.11 -30.28 68.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.9 -50.86 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.408 HD11 ' CD1' ' A' ' 19' ' ' LEU . 42.3 mt -69.9 -23.46 63.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.16 20.39 42.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.701 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 86.0 mtt-85 -119.85 -177.71 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' VAL . 14.7 m -92.07 145.91 24.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.753 HG13 ' HB3' ' A' ' 34' ' ' TRP . 93.7 t -38.74 -73.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.458 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 2.8 t -43.2 -44.65 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -53.29 -43.09 67.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -72.77 -66.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -45.93 -43.55 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.2 m -61.07 -28.53 69.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -84.33 -49.41 8.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.42 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 75.1 m95 -100.62 119.63 38.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' ASP . 35.1 p -116.64 154.69 30.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 12' ' ' THR . 8.1 mt-10 -32.97 -44.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -57.97 -50.3 73.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.586 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.6 m-20 -70.63 -30.47 67.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.1 mt -78.02 -27.49 48.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.73 -33.46 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.3 mm100 -67.13 -40.86 86.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 tp -50.45 -48.47 56.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.9 m -54.15 -25.93 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -82.58 -45.4 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 p -65.27 -46.3 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.6 mtp -46.86 -35.55 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.2 -41.2 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -68.91 -25.79 64.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.9 m-85 -135.03 83.35 40.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.656 0.741 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -170.57 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.17 150.88 41.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.86 -15.98 34.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.21 138.0 84.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.091 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.26 4.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.62 24.88 52.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -46.77 -72.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 50.0 m95 -57.25 -28.85 63.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -69.21 -33.26 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.586 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.6 mttm -83.15 -43.07 16.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.534 HG22 HG11 ' A' ' 48' ' ' VAL . 95.4 mt -61.67 -37.68 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.92 -47.55 74.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -60.82 -22.46 64.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -85.11 -51.71 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 61.7 mt -71.16 -13.05 61.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.57 21.55 66.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.478 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 5.0 mtt-85 -117.06 -174.27 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 45' ' ' VAL . 3.5 m -97.58 143.33 28.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.557 ' O ' HG22 ' A' ' 49' ' ' THR . 69.7 t -33.3 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.472 ' HA ' HG23 ' A' ' 49' ' ' THR . 4.0 t -45.0 -41.99 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -53.64 -42.32 67.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.534 HG11 HG22 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -74.57 -67.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.49 -45.68 18.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 46' ' ' THR . 70.4 m -57.48 -27.67 62.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.555 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.0 tppt? -85.3 -52.02 6.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.59 80.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 16.3 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.54 ' CG ' ' HE3' ' A' ' 51' ' ' LYS . 70.8 m95 -95.93 133.17 40.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASP . 67.0 p -120.73 150.24 41.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' THR . 8.1 mt-10 -33.29 -45.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.93 -47.09 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.539 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.57 -29.03 62.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.0 mt -79.84 -27.07 40.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.32 -33.32 22.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.485 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.6 mm-40 -67.69 -42.42 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.8 tp -47.02 -51.92 16.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.6 m -50.06 -37.25 32.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -72.5 -46.15 56.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.6 p -60.91 -50.44 73.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.3 mtp -42.24 -36.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.67 -42.01 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -68.41 -26.59 65.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.0 m-85 -134.98 83.77 39.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -169.79 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.749 2.3 . . . . 0.0 112.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.07 149.52 37.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.39 -13.72 49.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.4 137.76 81.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.603 0.716 . . . . 0.0 111.142 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.37 5.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.55 23.64 57.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -45.92 -72.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 42.4 m95 -56.65 -31.18 64.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.49 -32.67 73.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.583 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.5 mttm -83.16 -45.37 14.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.563 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -59.18 -37.85 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.621 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.93 -47.5 74.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -60.92 -26.61 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -82.36 -50.08 9.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 62.4 mt -70.54 -25.03 62.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.83 13.93 55.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.439 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.621 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 83.4 mtt-85 -112.32 -177.73 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.722 ' O ' HG23 ' A' ' 48' ' ' VAL . 21.6 m -89.9 153.44 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.579 ' O ' HG22 ' A' ' 49' ' ' THR . 48.1 t -44.57 -71.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.459 ' HA ' HG23 ' A' ' 49' ' ' THR . 4.8 t -47.51 -42.12 22.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -53.73 -41.45 67.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 44' ' ' SER . 1.2 t -73.67 -66.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.8 -45.2 19.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.7 m -58.62 -27.07 64.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 12.1 tppt? -86.11 -48.77 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.87 92.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 73.8 m95 -97.16 135.25 39.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 81.6 p -123.41 150.01 44.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' THR . 7.1 mt-10 -33.47 -37.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' THR . 10.1 tt0 -65.09 -48.77 72.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.578 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.0 -27.91 61.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -81.06 -28.36 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -84.72 -31.77 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.38 -39.37 68.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.432 ' HA ' HD11 ' A' ' 41' ' ' LEU . 57.4 tp -45.59 -50.26 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 m -54.03 -37.16 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -44.33 73.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.487 ' OG ' HG23 ' A' ' 37' ' ' ILE . 63.3 p -66.28 -45.66 79.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.4 mtp -46.41 -33.52 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -72.86 -43.01 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -66.2 -25.54 66.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 11.7 m-85 -134.96 83.22 40.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.642 0.734 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.15 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.3 151.41 46.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.43 -17.47 24.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.8 138.21 90.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 111.077 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 116.57 4.62 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.73 22.84 59.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -45.11 -72.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.668 ' HB3' HG13 ' A' ' 45' ' ' VAL . 44.1 m95 -56.99 -30.94 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' HA ' HG22 ' A' ' 45' ' ' VAL . 15.8 mt-10 -67.6 -31.65 71.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.5 mttt -84.3 -46.84 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.553 HG22 HG11 ' A' ' 48' ' ' VAL . 96.8 mt -58.03 -36.73 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.657 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.54 -49.55 66.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -60.58 -27.73 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -80.18 -47.75 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 19' ' ' LEU . 61.1 mt -73.63 -17.52 61.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.41 14.93 61.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.657 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 82.0 mtt-85 -116.95 -175.02 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.822 ' O ' HG23 ' A' ' 48' ' ' VAL . 22.4 m -95.31 158.3 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.668 HG13 ' HB3' ' A' ' 34' ' ' TRP . 69.0 t -46.16 -74.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.51 ' HA ' HG23 ' A' ' 49' ' ' THR . 12.4 t -46.35 -39.92 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 46' ' ' THR . 0.6 OUTLIER -56.06 -38.42 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -79.32 -66.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.68 -49.54 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -57.32 -23.84 51.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.552 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.6 tppt? -88.32 -48.24 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.19 87.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 70.9 m95 -96.19 134.05 39.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' ASP . 64.7 p -121.0 149.32 42.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' THR . 13.1 mt-10 -33.32 -37.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' THR . 19.8 tt0 -64.0 -48.95 74.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.581 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -73.8 -32.9 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -74.74 -27.73 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -84.97 -31.44 23.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -73.06 -37.09 66.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' A' ' 41' ' ' LEU . 59.6 tp -47.0 -59.33 3.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.0 m -45.51 -38.08 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -66.34 -49.18 67.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.426 ' OG ' HG23 ' A' ' 37' ' ' ILE . 53.8 p -62.02 -46.86 87.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.7 mtp -44.84 -36.22 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.92 -42.26 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -67.4 -26.14 66.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.9 m-85 -135.06 83.67 39.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.68 0.752 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.58 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.32 150.29 43.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 -21.68 11.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.98 138.04 97.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 111.099 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.23 4.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.39 23.35 54.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -43.59 -73.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.534 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 46.0 m95 -56.24 -33.01 65.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' HA ' HG22 ' A' ' 45' ' ' VAL . 22.1 mt-10 -64.89 -32.43 74.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.583 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 10.0 mttm -83.62 -45.3 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.517 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -59.64 -37.96 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.625 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.5 -49.45 68.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.057 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.37 -24.57 66.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -84.67 -48.06 9.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 19' ' ' LEU . 33.1 mt -72.49 -24.88 61.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.05 23.42 27.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.625 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 79.8 mtt-85 -122.6 -177.73 3.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.531 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.9 m -91.38 143.49 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.58 ' O ' HG22 ' A' ' 49' ' ' THR . 55.3 t -36.0 -72.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.455 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 3.3 t -46.59 -42.58 16.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.71 -41.29 66.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -73.74 -66.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.07 -41.87 17.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.3 m -60.53 -28.26 68.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.528 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 13.0 tppt? -86.15 -49.38 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.62 91.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 7.4 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.592 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 73.0 m95 -98.09 130.96 44.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.0 p -118.84 150.83 39.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.4 mt-10 -34.83 -39.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.81 -46.04 86.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.554 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -75.13 -27.88 59.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 mt -78.77 -35.58 44.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 -34.53 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -66.32 -42.21 88.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.0 tp -46.81 -50.74 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.5 m -53.02 -35.73 59.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -71.66 -45.66 61.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.479 ' OG ' HG23 ' A' ' 37' ' ' ILE . 62.8 p -63.6 -47.59 80.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 mtp -44.32 -36.17 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.8 t -70.09 -42.95 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -66.28 -25.99 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.8 m-85 -135.0 83.6 39.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.12 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.48 150.26 41.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.32 -18.38 23.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.3 137.97 94.12 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.576 0.703 . . . . 0.0 111.127 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 116.09 4.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.703 2.268 . . . . 0.0 112.376 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.33 23.58 56.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -44.33 -73.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.521 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 48.8 m95 -56.6 -32.22 65.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' A' ' 45' ' ' VAL . 20.7 mt-10 -66.35 -31.15 71.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.3 mttm -84.23 -45.81 12.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.521 HG22 HG11 ' A' ' 48' ' ' VAL . 96.1 mt -59.23 -38.08 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.13 -49.06 71.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -61.08 -24.96 66.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -83.11 -50.45 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.93 -23.56 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.12 15.84 55.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.58 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 84.2 mtt-85 -114.6 -174.81 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 48' ' ' VAL . 42.7 m -92.66 145.2 24.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 49' ' ' THR . 21.4 t -38.93 -72.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.448 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 9.6 t -47.48 -39.15 15.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -56.9 -40.8 76.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -73.83 -65.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -47.94 -43.39 29.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.9 m -60.39 -25.45 65.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.592 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tppt? -89.33 -49.53 6.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.73 -36.08 73.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.541 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 70.7 m95 -97.25 134.97 39.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASP . 61.2 p -122.03 149.54 43.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.5 mt-10 -33.11 -43.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -59.62 -47.67 84.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.541 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.18 -30.04 63.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -77.8 -29.63 50.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.77 -33.79 27.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 8.8 mm100 -66.63 -40.31 88.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 tp -49.52 -46.85 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.4 m -56.41 -31.78 64.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -78.78 -43.4 25.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.438 ' OG ' HG23 ' A' ' 37' ' ' ILE . 57.7 p -64.94 -48.55 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.6 mtp -44.47 -35.34 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.4 t -70.84 -42.07 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -67.51 -25.9 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.4 m-85 -135.05 83.68 39.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -170.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.97 150.47 41.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.62 -21.61 10.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.46 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.7 138.0 97.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.573 0.702 . . . . 0.0 111.141 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 24.63 44.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -44.53 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.349 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 41.8 m95 -56.92 -31.72 65.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.62 -31.28 71.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.1 mttm -84.31 -45.3 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.498 HG22 HG11 ' A' ' 48' ' ' VAL . 96.3 mt -59.98 -37.35 72.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.576 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.25 -49.37 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.045 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.8 -28.83 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -80.16 -50.28 10.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 50.1 mt -70.35 -24.41 62.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.85 22.92 34.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.576 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 81.1 mtt-85 -120.56 -177.25 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.1 m -91.41 143.7 26.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.529 ' O ' HG22 ' A' ' 49' ' ' THR . 42.1 t -35.97 -74.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.479 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 7.1 t -45.42 -40.51 8.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.95 -43.93 70.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.498 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -71.93 -66.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.97 -41.43 16.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 m -61.67 -28.43 69.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.533 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.9 tppt? -85.81 -46.25 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.15 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 69.3 m95 -96.98 132.47 42.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' ASP . 59.8 p -118.87 150.06 40.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.0 mt-10 -33.8 -42.65 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -60.81 -47.16 87.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.88 -28.73 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 mt -78.7 -30.73 46.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.24 -33.88 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.5 mm-40 -66.94 -41.36 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -47.03 -51.0 18.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.5 m -52.02 -33.49 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -75.39 -45.84 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -62.31 -48.58 79.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.1 mtt -44.53 -36.43 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.34 -42.12 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -67.72 -26.34 66.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.2 m-85 -135.05 83.73 38.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.07 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.21 150.04 44.98 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.59 -15.99 38.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.493 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.71 137.81 85.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 117.96 5.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.17 22.86 60.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -44.76 -72.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.522 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 33.9 m95 -55.99 -33.07 64.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -65.45 -32.65 74.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.582 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.8 mttm -83.23 -44.83 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.579 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -60.21 -38.0 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.48 -47.48 75.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -62.55 -24.75 67.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -83.48 -50.61 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 53.2 mt -70.2 -20.84 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.26 11.12 60.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.613 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 82.1 mtt-85 -111.76 -175.21 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.812 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.3 m -94.11 160.07 14.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 49' ' ' THR . 24.8 t -47.86 -74.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.486 ' HA ' HG23 ' A' ' 49' ' ' THR . 7.9 t -46.6 -39.23 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -55.57 -42.83 75.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 44' ' ' SER . 1.3 t -73.98 -65.3 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -48.15 -47.95 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 46' ' ' THR . 95.9 m -56.64 -27.38 58.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -85.96 -50.6 6.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.89 88.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.6 pt-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.55 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 74.6 m95 -99.42 134.08 42.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' ASP . 72.9 p -122.11 148.76 44.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.1 mt-10 -32.45 -37.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 12' ' ' THR . 3.2 tp10 -63.56 -51.02 67.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.55 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -71.69 -35.25 70.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 mt -71.09 -26.44 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -84.2 -31.05 25.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.6 mt-30 -71.16 -41.79 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.7 tp -46.56 -47.15 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.6 m -59.22 -31.27 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -77.75 -42.87 32.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 p -66.7 -47.54 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mtp -44.49 -34.68 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.0 t -70.63 -42.38 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -67.45 -26.42 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.8 m-85 -134.99 83.79 39.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -174.88 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.258 . . . . 0.0 112.313 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.33 150.71 47.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.71 -18.51 19.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.01 137.45 95.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.541 0.686 . . . . 0.0 111.186 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 111.76 2.9 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.7 21.08 52.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -43.89 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 40.8 m95 -55.41 -32.63 62.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -66.6 -31.43 72.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.5 mttt -84.68 -45.09 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.506 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -60.07 -37.38 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.15 -48.55 70.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -60.57 -26.35 66.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.69 -50.13 9.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 48.6 mt -70.02 -24.56 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.69 17.9 46.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.554 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 75.3 mtt-85 -116.21 -176.01 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.1 m -93.99 144.14 25.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 49' ' ' THR . 16.5 t -35.2 -74.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.519 ' N ' HG12 ' A' ' 45' ' ' VAL . 13.5 t -45.04 -41.8 7.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.45 ' N ' HG23 ' A' ' 46' ' ' THR . 12.4 t0 -53.86 -42.5 68.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.506 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -73.84 -65.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.63 -41.0 14.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 79.8 m -62.49 -28.67 69.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.3 tppt? -85.46 -48.13 9.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.44 92.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.419 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.1 pt-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.589 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 71.3 m95 -101.16 133.9 45.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.0 p -120.1 149.09 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.3 mt-10 -33.15 -43.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -60.45 -48.71 80.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -72.09 -28.34 63.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.82 -30.12 40.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.1 -33.8 29.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.488 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 5.4 mm100 -67.08 -43.88 81.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 tp -44.57 -46.96 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.0 m -57.95 -32.76 68.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -76.96 -42.17 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.457 ' OG ' HG23 ' A' ' 37' ' ' ILE . 56.3 p -66.78 -46.56 74.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.5 mtt -45.64 -35.81 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.3 t -69.86 -42.96 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -66.4 -26.04 67.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.1 m-85 -134.98 83.6 39.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -171.82 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.64 151.15 44.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.8 -20.79 10.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.51 137.84 97.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 112.56 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.88 25.49 37.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -46.31 -72.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.664 ' HB3' HG13 ' A' ' 45' ' ' VAL . 40.8 m95 -57.41 -29.35 64.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -69.05 -32.08 71.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.8 mttt -83.63 -46.09 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.483 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -58.56 -38.58 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.649 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.84 -48.83 72.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -59.83 -28.54 67.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -80.75 -51.22 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 54.2 mt -69.14 -24.67 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.22 22.81 31.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.649 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 82.5 mtt-85 -121.81 -176.23 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.533 ' O ' HG23 ' A' ' 48' ' ' VAL . 21.2 m -94.47 145.49 24.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 34' ' ' TRP . 88.9 t -36.5 -74.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.459 ' HA ' HG23 ' A' ' 49' ' ' THR . 2.6 t -44.66 -42.24 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.35 -42.53 70.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -74.5 -67.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.29 -43.46 15.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.182 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' THR . 77.3 m -61.43 -28.0 68.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.589 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 10.7 tppt? -84.66 -48.59 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.68 -47.33 86.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.523 ' OE1' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 71.9 m95 -97.07 129.33 44.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.523 HG23 ' OE1' ' A' ' 10' ' ' GLU . 71.1 p -117.2 150.63 38.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.8 mt-10 -34.18 -40.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -62.85 -47.11 84.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.567 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.58 -28.48 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.0 -27.62 33.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -85.43 -31.97 22.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.04 -45.62 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -41.78 -53.57 3.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.6 m -48.48 -35.38 12.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -74.25 -47.44 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.456 ' OG ' HG23 ' A' ' 37' ' ' ILE . 61.1 p -60.12 -47.78 84.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.6 mtp -44.57 -36.45 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.54 -42.64 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -66.96 -26.5 66.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.5 m-85 -134.95 83.93 38.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.719 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -173.28 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.55 151.48 46.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.55 -21.43 8.98 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.55 138.1 97.27 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.542 0.687 . . . . 0.0 111.17 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.02 2.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.94 25.45 37.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -45.64 -72.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 38.4 m95 -57.01 -30.7 64.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -67.67 -31.99 72.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.3 mttm -83.74 -44.68 14.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.504 HG22 HG11 ' A' ' 48' ' ' VAL . 95.3 mt -60.85 -39.02 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.607 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.26 -47.37 79.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -61.28 -28.1 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.22 -51.3 8.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.7 mt -68.64 -21.52 64.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.0 19.57 50.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.607 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 83.1 mtt-85 -119.17 -174.83 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.807 ' O ' HG23 ' A' ' 48' ' ' VAL . 75.0 m -93.07 157.93 16.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.641 ' O ' HG22 ' A' ' 49' ' ' THR . 22.9 t -48.92 -74.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 5.5 t -45.61 -39.12 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -47.41 78.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 44' ' ' SER . 1.1 t -68.81 -65.21 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.94 -51.58 16.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -53.64 -23.99 12.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.1 tppt? -89.34 -50.24 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.84 76.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.092 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.45 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.6 pt-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.59 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 79.4 m95 -102.08 120.56 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' ASP . 69.5 p -120.19 155.19 33.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.5 mt-10 -33.75 -36.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' THR . 38.6 tt0 -64.5 -48.99 73.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.59 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.7 m-20 -74.15 -31.66 62.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.72 -26.89 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -84.97 -32.76 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -69.57 -36.83 76.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.6 tp -53.35 -51.86 61.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 m -50.19 -30.66 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -77.21 -47.42 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 p -62.8 -47.74 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.1 mtp -45.21 -36.01 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.94 -42.2 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -67.78 -26.01 65.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 6.9 m-85 -134.99 83.49 39.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -174.12 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.85 150.48 46.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.34 -20.03 15.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.44 137.89 96.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 113.94 3.53 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.8 23.86 48.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -44.78 -73.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 45.5 m95 -55.87 -31.85 63.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.89 -31.84 72.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.575 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.1 mttm -83.88 -45.43 13.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.518 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -59.58 -41.28 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.47 79.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -59.98 -24.66 64.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.77 -49.17 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.04 -14.9 61.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.8 18.8 71.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 7.4 mtt-85 -112.8 -174.73 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' VAL . 50.1 m -94.58 139.7 30.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.57 ' O ' HG22 ' A' ' 49' ' ' THR . 19.3 t -33.59 -74.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.478 ' N ' HG12 ' A' ' 45' ' ' VAL . 7.4 t -45.89 -40.46 10.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -54.06 -46.62 72.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.518 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -68.86 -66.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.63 -47.58 20.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -58.2 -25.35 61.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.486 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 3.4 tppt? -87.17 -49.35 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.3 93.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 23.2 pm0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 72.4 m95 -97.4 134.82 40.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 73.0 p -122.67 150.34 42.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.2 mt-10 -33.9 -41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.21 -47.16 85.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.552 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.25 -28.81 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -78.12 -32.97 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.63 -33.13 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -67.04 -39.46 86.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 tp -49.68 -50.59 43.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.1 m -51.79 -33.05 33.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -75.26 -44.74 44.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.3 p -64.36 -47.99 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.3 mtp -44.68 -34.86 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.54 -42.5 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -67.45 -26.01 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.6 m-85 -134.88 83.39 40.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.74 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -173.67 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.24 150.84 46.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.07 -19.63 16.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.15 138.06 95.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 114.91 3.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.749 2.299 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.57 23.69 52.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -45.06 -72.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.747 ' HB3' HG13 ' A' ' 45' ' ' VAL . 40.9 m95 -56.44 -30.31 62.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.476 ' HA ' HG22 ' A' ' 45' ' ' VAL . 15.5 mt-10 -68.46 -31.75 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 13.0 mttt -83.71 -45.36 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.482 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -59.33 -38.36 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.694 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.95 -48.86 72.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -59.88 -28.54 67.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -80.68 -50.11 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.43 -23.96 62.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.4 19.19 42.57 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.694 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 85.7 mtt-85 -118.92 -177.35 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.528 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.4 m -93.04 142.97 26.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.747 HG13 ' HB3' ' A' ' 34' ' ' TRP . 74.9 t -35.39 -72.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.462 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 4.2 t -44.57 -44.74 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' N ' HG23 ' A' ' 46' ' ' THR . 2.6 t70 -53.29 -40.28 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -75.29 -66.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.07 -43.93 15.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -59.32 -28.68 67.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.574 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 1.4 tppm? -86.66 -49.29 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.85 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 11.0 pt-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.348 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.587 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 72.4 m95 -96.08 133.19 40.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 15' ' ' ASP . 73.9 p -122.24 150.54 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.3 mt-10 -33.61 -37.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' THR . 25.8 tt0 -63.99 -48.42 76.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.587 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.4 -31.0 62.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.14 -26.88 48.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -85.32 -32.12 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.475 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 8.5 mm100 -69.3 -42.74 75.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -46.61 -49.9 18.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.5 m -55.16 -30.81 60.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -79.87 -42.97 23.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.8 p -65.05 -48.32 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.1 mtp -43.78 -36.1 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.17 -42.5 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -67.59 -26.12 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 6.4 m-85 -134.98 83.57 39.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.716 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -170.62 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.15 152.0 44.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.01 -23.52 5.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.56 137.92 92.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 111.14 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 110.14 2.46 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.91 27.34 29.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -46.15 -72.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.525 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 45.1 m95 -57.03 -30.25 64.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HA ' HG22 ' A' ' 45' ' ' VAL . 16.7 mt-10 -67.51 -33.36 74.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 10.3 mttm -82.03 -45.41 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.494 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -58.99 -38.95 76.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.28 -47.23 80.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -60.79 -28.77 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -81.19 -51.49 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 69.4 mt -67.75 -27.0 66.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.3 20.37 35.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.556 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 79.4 mtt-85 -118.23 -176.13 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.487 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.3 m -92.14 143.65 26.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.556 ' O ' HG22 ' A' ' 49' ' ' THR . 41.9 t -36.12 -73.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.447 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 2.8 t -48.87 -35.73 15.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -58.98 -39.0 80.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.494 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.8 -65.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.8 -43.1 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.7 m -62.08 -25.0 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.556 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 11.9 tppt? -86.77 -42.69 13.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.01 -45.46 88.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 13.8 pt-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CH2' ' HD2' ' A' ' 43' ' ' ARG . 71.5 m95 -100.65 132.33 46.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' ASP . 65.1 p -120.75 150.7 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' THR . 7.4 mt-10 -34.33 -44.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -59.06 -45.14 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.515 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -74.95 -30.54 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 mt -78.76 -27.17 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.91 -33.0 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.482 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.0 mm100 -69.04 -40.64 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 tp -47.34 -59.44 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.8 m -46.32 -35.02 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -75.02 -46.13 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.7 p -61.45 -46.0 91.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.8 mtp -45.3 -35.58 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.84 -41.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -67.52 -26.02 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.7 m-85 -135.01 83.47 39.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -174.62 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.72 150.96 47.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.12 -19.61 16.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.06 138.08 96.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 111.175 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 113.27 3.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.84 26.55 37.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -47.69 -72.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.329 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.522 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 34.1 m95 -58.29 -27.09 63.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -70.8 -32.91 70.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.583 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.9 mttt -83.41 -44.94 14.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.488 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -59.26 -37.07 66.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.28 -49.33 67.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -59.68 -27.83 66.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.56 -49.95 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 82.8 mt -71.53 -22.1 61.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.98 19.62 50.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.598 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 69.3 mtt-85 -117.68 -174.98 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.353 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.786 ' O ' HG23 ' A' ' 48' ' ' VAL . 13.4 m -91.39 156.85 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 49' ' ' THR . 24.4 t -50.23 -74.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.471 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 8.8 t -46.93 -36.47 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -43.99 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -71.01 -65.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.42 -41.82 20.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.9 m -62.93 -26.68 68.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.6 tppt? -87.17 -45.78 10.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.29 97.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.576 ' CH2' ' HD2' ' A' ' 43' ' ' ARG . 71.7 m95 -97.76 131.76 43.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' ASP . 72.3 p -119.47 150.12 40.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.2 mt-10 -33.76 -42.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.89 -46.86 88.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.544 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.79 -29.21 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.64 -30.64 46.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.71 -33.86 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -69.33 -39.66 78.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HA ' HD11 ' A' ' 41' ' ' LEU . 55.0 tp -45.09 -55.23 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.0 m -50.09 -40.52 45.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -64.62 -46.11 84.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.439 ' OG ' HG23 ' A' ' 37' ' ' ILE . 37.3 p -65.04 -45.8 83.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.1 mtp -45.62 -34.79 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.81 -42.86 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -66.02 -25.41 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 10.1 m-85 -135.0 83.21 40.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.667 0.746 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -171.58 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.88 150.99 43.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.64 -18.7 18.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.97 137.59 94.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.591 0.71 . . . . 0.0 111.176 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 115.49 4.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.02 24.29 52.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -44.78 -73.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.523 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 37.9 m95 -57.07 -31.37 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.32 -30.82 70.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.8 mttm -84.36 -45.09 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.498 HG22 HG11 ' A' ' 48' ' ' VAL . 96.6 mt -60.14 -37.88 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.647 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.89 -49.37 70.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.092 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.99 -29.78 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.02 -50.55 10.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD11 ' HA ' ' A' ' 19' ' ' LEU . 39.0 mt -69.78 -23.26 63.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.86 15.6 53.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.647 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 85.7 mtt-85 -116.02 -176.34 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.796 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.9 m -91.59 159.21 16.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.577 ' O ' HG22 ' A' ' 49' ' ' THR . 45.1 t -48.09 -74.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.494 ' HA ' HG23 ' A' ' 49' ' ' THR . 11.3 t -46.64 -40.24 12.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 46' ' ' THR . 4.4 m-20 -53.94 -40.27 66.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -77.68 -67.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.29 -46.4 17.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 46' ' ' THR . 97.4 m -57.92 -28.72 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 13.1 tppt? -85.8 -51.25 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.17 -45.11 83.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 8.8 pt-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.778 0.323 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 73.8 m95 -97.17 130.53 44.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ASP . 57.2 p -118.96 150.74 39.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.3 mt-10 -33.94 -43.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -61.11 -46.67 89.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.528 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.94 -27.55 61.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -80.74 -29.52 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -33.65 27.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.76 -39.45 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -47.89 -47.45 31.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -55.21 -31.57 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? -75.83 -43.39 46.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 p -66.12 -46.45 77.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.3 mtp -46.22 -35.07 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -70.25 -42.35 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -67.45 -26.39 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.2 m-85 -133.92 83.04 47.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -173.86 0.79 Allowed 'Trans proline' 0 N--CA 1.466 -0.132 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.53 149.69 43.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.34 -15.1 41.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.45 137.65 86.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 115.81 4.27 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' C ' ' HD2' ' A' ' 36' ' ' LYS . . . 82.66 21.91 59.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -44.25 -72.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.528 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 43.7 m95 -55.08 -34.33 63.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 45' ' ' VAL . 18.6 mt-10 -65.34 -31.24 72.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 7.3 mttm -83.9 -46.0 12.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.557 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -58.64 -37.81 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.638 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.67 -48.46 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.062 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.97 -25.19 66.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -83.22 -50.47 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.1 mt -71.23 -22.48 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.31 22.51 34.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.638 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 87.4 mtt-85 -120.44 -175.2 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.635 ' O ' HG23 ' A' ' 48' ' ' VAL . 39.2 m -94.0 149.77 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 49' ' ' THR . 16.6 t -40.47 -72.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.502 ' HA ' HG23 ' A' ' 49' ' ' THR . 8.4 t -47.96 -40.31 21.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.89 -38.32 67.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 44' ' ' SER . 1.1 t -78.09 -65.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.83 -42.32 17.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -62.97 -27.21 69.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 14.5 tppt? -86.33 -49.17 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.97 92.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.687 ' OE1' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 76.0 m95 -101.35 120.95 41.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.687 HG23 ' OE1' ' A' ' 10' ' ' GLU . 63.7 p -114.32 152.25 31.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.0 mt-10 -33.41 -42.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.79 -47.58 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.557 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.8 m-20 -73.56 -38.1 65.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.39 -35.66 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -78.73 -33.87 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.488 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.0 mm100 -65.17 -38.19 89.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.95 -53.87 50.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -46.77 -30.53 2.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -77.57 -48.54 16.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.456 ' OG ' HG23 ' A' ' 37' ' ' ILE . 57.6 p -61.22 -48.4 81.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 mtp -44.9 -36.92 3.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.02 -41.93 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -68.86 -25.73 64.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.9 m-85 -134.46 82.87 44.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.675 0.75 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -173.45 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.76 149.79 43.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.87 -12.76 51.91 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.518 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.18 137.78 78.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.566 0.698 . . . . 0.0 111.149 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 117.34 5.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.74 22.83 61.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -45.45 -72.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.811 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.484 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 38.7 m95 -55.66 -31.97 62.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -67.46 -31.85 72.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.3 mttm -83.41 -45.06 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.456 HG23 ' OG ' ' A' ' 22' ' ' SER . 96.7 mt -58.43 -42.73 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -61.66 -49.29 77.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -58.94 -21.71 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.813 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -87.96 -45.96 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 57.3 mt -76.57 -18.86 58.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.98 21.19 57.9 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 11.3 mtt-85 -115.57 -175.16 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.4 m -93.56 140.97 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' HG22 ' A' ' 49' ' ' THR . 24.4 t -35.16 -74.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.475 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 4.1 t -46.33 -41.51 13.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -53.21 -43.69 67.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -70.47 -65.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -48.03 -38.45 17.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.9 m -63.18 -28.11 69.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 12.9 tppt? -85.49 -48.08 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.97 94.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -50.4 -54.03 24.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -52.56 140.28 23.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.98 158.61 24.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -133.8 170.81 15.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -49.4 170.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.08 -124.71 3.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.18 144.13 27.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.584 0.707 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.13 28.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 22.8 pt-20 -73.65 -177.84 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 74.2 m95 -96.66 134.16 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 15' ' ' ASP . 81.5 p -123.71 150.38 44.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 12' ' ' THR . 12.4 mt-10 -32.89 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' THR . 1.0 OUTLIER -64.18 -49.57 71.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.581 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.37 -28.97 62.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD21 ' HZ3' ' A' ' 51' ' ' LYS . 19.1 mt -79.75 -26.77 40.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -86.12 -31.88 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -71.49 -40.34 70.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.3 tp -45.06 -52.1 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -51.56 -36.51 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -69.76 -45.08 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.494 ' OG ' HG23 ' A' ' 37' ' ' ILE . 66.4 p -65.03 -47.34 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.6 mtp -45.52 -35.34 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.68 -41.96 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -68.3 -25.65 65.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.577 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.2 m-85 -134.89 83.03 41.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -167.85 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.371 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.41 149.58 35.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.16 -20.09 18.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.26 137.81 96.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.577 0.703 . . . . 0.0 111.171 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 114.5 3.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.18 24.09 49.27 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -44.52 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.525 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 46.2 m95 -56.23 -32.04 64.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -66.9 -31.15 71.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 7.4 mttm -84.28 -45.75 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.533 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -59.33 -37.2 67.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.626 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.0 -48.56 70.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -60.73 -25.7 66.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -83.61 -50.56 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.4 mt -69.28 -26.4 64.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.9 23.8 24.52 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.626 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 80.0 mtt-85 -123.7 -176.7 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' VAL . 2.1 m -93.31 142.38 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.598 ' O ' HG22 ' A' ' 49' ' ' THR . 18.0 t -33.92 -72.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.456 ' N ' HG12 ' A' ' 45' ' ' VAL . 3.5 t -47.3 -38.55 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -58.43 -38.26 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.533 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -78.1 -66.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.68 -43.98 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.2 m -59.81 -27.52 66.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' HZ3' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -86.41 -48.13 8.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.34 94.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.3 -38.41 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.473 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 36.5 mt-30 -66.26 -34.57 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' O ' HG13 ' A' ' 59' ' ' VAL . 29.7 mt -72.29 -37.38 69.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -72.86 -28.13 62.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -72.61 -51.65 18.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m -92.6 86.33 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 55' ' ' LEU . 13.9 m -131.31 173.05 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 p -119.72 100.32 7.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.9 p -150.6 161.85 41.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.1 m -41.98 142.94 1.06 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -15.65 37.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.256 . . . . 0.0 112.312 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.13 82.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.5 ttp -56.79 87.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 67' ' ' SER . 4.0 p -110.01 155.34 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.464 ' N ' HG22 ' A' ' 66' ' ' VAL . 38.1 m -85.38 -46.61 10.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.99 146.96 11.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -31.24 20.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -156.36 128.09 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.8 m -78.29 -57.66 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.472 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m 58.8 37.32 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -98.48 -51.04 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.53 149.98 21.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -150.56 158.19 43.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -111.62 -44.48 3.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.33 -117.48 4.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.09 144.52 18.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 111.056 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 152.02 69.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.9 pt-20 -59.68 -177.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.59 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 76.0 m95 -99.75 120.25 39.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 15' ' ' ASP . 44.3 p -115.89 154.1 30.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.1 mt-10 -33.96 -42.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -60.76 -46.91 88.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.535 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.4 m-20 -73.79 -28.89 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.96 -30.42 44.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.3 -34.27 32.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -67.17 -37.19 83.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.7 tp -53.68 -58.0 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 m -44.11 -39.57 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -68.49 -50.07 55.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' LYS . 2.9 p -59.22 -50.51 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.0 mtp -42.24 -34.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.1 -40.29 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' SER . 46.0 tttm -69.58 -24.85 63.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.0 m-85 -135.03 82.5 42.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -176.89 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.6 148.39 46.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.32 -15.33 45.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -69.52 137.55 88.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.58 0.705 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 112.59 3.12 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.73 2.287 . . . . 0.0 112.295 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.26 26.95 34.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -48.78 -71.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.49 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 34.9 m95 -57.71 -27.2 62.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.52 -33.62 69.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.584 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.0 mttm -82.57 -45.01 15.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.615 HG22 HG11 ' A' ' 48' ' ' VAL . 85.1 mt -57.53 -41.78 79.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -62.62 -50.09 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -58.56 -21.37 52.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.92 -45.65 9.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.2 mt -76.03 -14.4 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.62 20.66 65.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.488 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.56 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 8.3 mtt-85 -118.56 -175.09 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.748 ' O ' HG23 ' A' ' 48' ' ' VAL . 26.5 m -91.86 152.7 19.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.523 ' O ' HG22 ' A' ' 49' ' ' THR . 16.2 t -44.5 -69.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.427 ' HA ' HG23 ' A' ' 49' ' ' THR . 3.1 t -50.57 -41.19 54.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -54.16 -37.75 64.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 44' ' ' SER . 1.3 t -75.52 -67.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -47.34 -44.39 23.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -57.49 -27.24 62.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.59 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.3 tppt? -85.54 -47.61 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -45.71 93.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.1 -34.41 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 53' ' ' LYS . 75.4 mt-30 -69.46 -36.99 77.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.3 mt -68.74 -27.28 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -78.45 -24.88 45.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 58' ' ' SER . 0.2 OUTLIER -82.88 -53.24 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.514 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 7.9 t -59.44 97.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -141.55 123.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 76.6 p -127.26 107.15 9.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.2 t -117.87 81.65 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.1 t -155.25 139.53 11.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.881 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.88 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.256 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.19 142.03 32.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.4 ttm -98.44 102.65 14.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.0 t -88.44 117.72 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 t -63.18 175.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.02 158.86 29.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 110.72 2.63 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.671 2.247 . . . . 0.0 112.292 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.9 p -102.14 -50.68 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.3 p -91.71 125.53 36.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -78.95 134.24 36.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -84.59 -48.5 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.0 -178.74 16.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 p -83.82 172.08 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -96.12 96.34 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.7 -109.66 3.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.79 145.32 6.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.36 16.74 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.384 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 18.1 pt-20 -71.15 -177.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 73.5 m95 -97.04 134.09 40.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.3 p -123.02 150.65 42.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.167 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.2 mt-10 -33.74 -37.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' THR . 3.8 tp10 -64.31 -48.39 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.574 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -74.35 -28.26 61.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.32 -29.69 38.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 m -83.65 -31.72 26.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -73.12 -39.14 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' CD1' HD11 ' A' ' 41' ' ' LEU . 43.7 tp -44.52 -49.98 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 m -56.33 -34.65 66.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -70.39 -44.08 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 p -68.41 -43.3 77.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.3 mtt -48.63 -32.45 8.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.7 t -73.11 -42.53 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -66.41 -24.93 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.1 m-85 -135.02 82.85 41.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -174.34 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.76 150.36 46.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.14 -16.87 31.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.22 137.23 89.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.689 . . . . 0.0 111.124 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.91 4.31 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 22.22 57.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -44.15 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.753 ' HB3' HG13 ' A' ' 45' ' ' VAL . 39.6 m95 -55.69 -32.8 63.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 45' ' ' VAL . 18.8 mt-10 -66.66 -30.87 71.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.4 mttm -84.27 -45.33 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.481 HG22 HG11 ' A' ' 48' ' ' VAL . 96.6 mt -59.56 -38.2 74.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.701 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.56 -49.53 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -59.11 -30.28 68.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.9 -50.86 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.408 HD11 ' CD1' ' A' ' 19' ' ' LEU . 42.3 mt -69.9 -23.46 63.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.16 20.39 42.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.701 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 86.0 mtt-85 -119.85 -177.71 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' VAL . 14.7 m -92.07 145.91 24.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.753 HG13 ' HB3' ' A' ' 34' ' ' TRP . 93.7 t -38.74 -73.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.458 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 2.8 t -43.2 -44.65 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -53.29 -43.09 67.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -72.77 -66.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -45.93 -43.55 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.2 m -61.07 -28.53 69.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -84.33 -49.41 8.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.42 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.41 -28.71 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' CG ' ' HD2' ' A' ' 53' ' ' LYS . 27.2 mt-30 -77.65 -30.72 52.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.7 mt -82.59 -46.7 12.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -50.03 -33.26 17.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.04 -44.7 14.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 t -84.32 85.79 7.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.6 m -128.94 171.1 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 t -123.17 -20.57 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 t 55.91 48.84 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.6 p -94.35 145.91 30.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -11.57 31.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 164.78 -142.09 7.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 ptm -64.99 118.11 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.2 p -67.13 141.77 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.5 p -49.77 -47.03 51.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.32 143.25 3.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -45.22 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.8 t -66.15 144.25 56.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 93.6 p -58.93 175.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -85.85 127.22 34.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -91.7 138.86 31.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.96 132.77 9.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -66.56 97.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.84 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -117.73 137.11 52.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.821 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.93 113.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.76 141.42 36.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -178.5 2.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -82.74 -177.75 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 75.1 m95 -100.62 119.63 38.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' ASP . 35.1 p -116.64 154.69 30.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 12' ' ' THR . 8.1 mt-10 -32.97 -44.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -57.97 -50.3 73.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.586 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.6 m-20 -70.63 -30.47 67.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.1 mt -78.02 -27.49 48.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.73 -33.46 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.3 mm100 -67.13 -40.86 86.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 tp -50.45 -48.47 56.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.9 m -54.15 -25.93 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -82.58 -45.4 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 p -65.27 -46.3 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.6 mtp -46.86 -35.55 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.2 -41.2 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -68.91 -25.79 64.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.9 m-85 -135.03 83.35 40.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.656 0.741 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -170.57 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.17 150.88 41.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.86 -15.98 34.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.21 138.0 84.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.091 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.26 4.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.62 24.88 52.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -46.77 -72.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 50.0 m95 -57.25 -28.85 63.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -69.21 -33.26 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.586 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.6 mttm -83.15 -43.07 16.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.534 HG22 HG11 ' A' ' 48' ' ' VAL . 95.4 mt -61.67 -37.68 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.92 -47.55 74.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -60.82 -22.46 64.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -85.11 -51.71 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 61.7 mt -71.16 -13.05 61.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.57 21.55 66.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.478 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 5.0 mtt-85 -117.06 -174.27 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 45' ' ' VAL . 3.5 m -97.58 143.33 28.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.557 ' O ' HG22 ' A' ' 49' ' ' THR . 69.7 t -33.3 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.472 ' HA ' HG23 ' A' ' 49' ' ' THR . 4.0 t -45.0 -41.99 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -53.64 -42.32 67.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.534 HG11 HG22 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -74.57 -67.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.49 -45.68 18.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 46' ' ' THR . 70.4 m -57.48 -27.67 62.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.555 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.0 tppt? -85.3 -52.02 6.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.59 80.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.16 -33.72 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.443 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 76.6 mt-30 -70.62 -37.17 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.26 -33.38 71.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -72.17 -34.17 68.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 58' ' ' SER . 0.2 OUTLIER -70.18 -46.79 63.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 58.3 m -71.76 80.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.0 m -147.48 167.07 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.7 p -114.13 37.58 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.1 t -79.98 141.84 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.3 p -156.36 150.82 20.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.665 0.745 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -18.36 37.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.1 -161.04 30.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 41.8 ttp -87.77 108.92 19.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.8 m -106.26 151.51 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -98.25 146.53 25.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -129.15 158.6 22.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -3.42 11.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.354 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.6 t -61.32 104.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -168.96 123.36 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -137.68 165.98 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.2 p -165.17 105.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.7 154.82 17.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -120.79 -55.03 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -90.97 85.95 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.11 56.45 0.43 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.27 143.5 6.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.566 0.698 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 169.26 19.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.252 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 16.3 pt-20 -72.59 -177.86 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.54 ' CG ' ' HE3' ' A' ' 51' ' ' LYS . 70.8 m95 -95.93 133.17 40.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASP . 67.0 p -120.73 150.24 41.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' THR . 8.1 mt-10 -33.29 -45.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.93 -47.09 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.539 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.57 -29.03 62.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.0 mt -79.84 -27.07 40.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.32 -33.32 22.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.485 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.6 mm-40 -67.69 -42.42 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.8 tp -47.02 -51.92 16.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.6 m -50.06 -37.25 32.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -72.5 -46.15 56.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.6 p -60.91 -50.44 73.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.3 mtp -42.24 -36.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.67 -42.01 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -68.41 -26.59 65.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.0 m-85 -134.98 83.77 39.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -169.79 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.749 2.3 . . . . 0.0 112.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.07 149.52 37.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.39 -13.72 49.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.4 137.76 81.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.603 0.716 . . . . 0.0 111.142 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.37 5.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.55 23.64 57.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -45.92 -72.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 42.4 m95 -56.65 -31.18 64.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.49 -32.67 73.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.583 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.5 mttm -83.16 -45.37 14.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.563 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -59.18 -37.85 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.621 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.93 -47.5 74.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -60.92 -26.61 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -82.36 -50.08 9.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 62.4 mt -70.54 -25.03 62.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.83 13.93 55.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.439 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.621 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 83.4 mtt-85 -112.32 -177.73 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.722 ' O ' HG23 ' A' ' 48' ' ' VAL . 21.6 m -89.9 153.44 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.579 ' O ' HG22 ' A' ' 49' ' ' THR . 48.1 t -44.57 -71.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.459 ' HA ' HG23 ' A' ' 49' ' ' THR . 4.8 t -47.51 -42.12 22.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -53.73 -41.45 67.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 44' ' ' SER . 1.2 t -73.67 -66.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.8 -45.2 19.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.7 m -58.62 -27.07 64.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 12.1 tppt? -86.11 -48.77 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -59.4 -43.87 92.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -50.16 -32.1 15.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -72.32 -33.28 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 52' ' ' ALA . 14.4 mt -73.24 -33.14 65.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -68.81 -47.46 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 58' ' ' SER . 2.2 m-20 -62.03 -48.99 77.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 57' ' ' ASP . 33.9 t -35.86 -43.12 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -111.06 154.4 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.2 p -121.07 100.96 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.1 m -127.25 90.23 3.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.1 p -151.32 144.15 16.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 144.94 55.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.92 -72.06 1.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 51.1 ttm -148.14 148.28 30.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.3 p -93.65 -38.06 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 97.9 p -97.76 153.98 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.1 -93.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 90.89 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.4 m -68.99 102.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.3 p -102.97 101.13 11.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -121.11 145.71 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -62.59 -50.79 69.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.47 154.58 11.91 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -68.24 81.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 p -43.2 -41.39 3.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.35 -94.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.44 145.15 2.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.704 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -177.69 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -84.43 -177.73 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 73.8 m95 -97.16 135.25 39.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 81.6 p -123.41 150.01 44.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' THR . 7.1 mt-10 -33.47 -37.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' THR . 10.1 tt0 -65.09 -48.77 72.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.578 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.0 -27.91 61.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -81.06 -28.36 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -84.72 -31.77 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.38 -39.37 68.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' HA ' HD11 ' A' ' 41' ' ' LEU . 57.4 tp -45.59 -50.26 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 m -54.03 -37.16 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -44.33 73.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.487 ' OG ' HG23 ' A' ' 37' ' ' ILE . 63.3 p -66.28 -45.66 79.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.4 mtp -46.41 -33.52 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -72.86 -43.01 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -66.2 -25.54 66.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 11.7 m-85 -134.96 83.22 40.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.642 0.734 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.15 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.3 151.41 46.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.43 -17.47 24.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.8 138.21 90.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 111.077 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 116.57 4.62 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.73 22.84 59.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -45.11 -72.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.668 ' HB3' HG13 ' A' ' 45' ' ' VAL . 44.1 m95 -56.99 -30.94 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' HA ' HG22 ' A' ' 45' ' ' VAL . 15.8 mt-10 -67.6 -31.65 71.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.5 mttt -84.3 -46.84 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.553 HG22 HG11 ' A' ' 48' ' ' VAL . 96.8 mt -58.03 -36.73 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.657 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.54 -49.55 66.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -60.58 -27.73 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -80.18 -47.75 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 19' ' ' LEU . 61.1 mt -73.63 -17.52 61.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.41 14.93 61.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.657 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 82.0 mtt-85 -116.95 -175.02 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.822 ' O ' HG23 ' A' ' 48' ' ' VAL . 22.4 m -95.31 158.3 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.668 HG13 ' HB3' ' A' ' 34' ' ' TRP . 69.0 t -46.16 -74.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.51 ' HA ' HG23 ' A' ' 49' ' ' THR . 12.4 t -46.35 -39.92 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 46' ' ' THR . 0.6 OUTLIER -56.06 -38.42 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -79.32 -66.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.68 -49.54 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -57.32 -23.84 51.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.552 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.6 tppt? -88.32 -48.24 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -58.18 -44.19 87.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.36 -33.57 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.464 ' CG ' ' HD2' ' A' ' 53' ' ' LYS . 84.2 mt-30 -72.11 -36.78 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 52' ' ' ALA . 12.1 mt -72.37 -38.77 68.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -62.96 -37.86 88.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.64 -61.55 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.3 t -73.96 97.41 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.8 p -164.6 154.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.1 p -111.09 87.69 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.5 m -146.59 117.38 7.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.9 p -113.53 80.81 4.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.33 30.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.88 117.83 2.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.28 107.69 5.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 67' ' ' SER . 27.3 m -119.73 -41.4 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 66' ' ' VAL . 8.1 t -67.7 88.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.63 -158.47 0.67 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.11 7.96 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.313 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t -78.82 175.82 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -139.16 155.58 47.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m -66.45 140.75 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.833 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -47.24 144.61 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.36 -131.99 6.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -156.09 146.04 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m 51.95 39.34 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.48 -86.56 0.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.32 143.88 17.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 165.99 29.06 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.44 -177.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 70.9 m95 -96.19 134.05 39.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' ASP . 64.7 p -121.0 149.32 42.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' THR . 13.1 mt-10 -33.32 -37.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' THR . 19.8 tt0 -64.0 -48.95 74.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.581 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -73.8 -32.9 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -74.74 -27.73 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -84.97 -31.44 23.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -73.06 -37.09 66.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' A' ' 41' ' ' LEU . 59.6 tp -47.0 -59.33 3.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.0 m -45.51 -38.08 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -66.34 -49.18 67.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.426 ' OG ' HG23 ' A' ' 37' ' ' ILE . 53.8 p -62.02 -46.86 87.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.7 mtp -44.84 -36.22 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.92 -42.26 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -67.4 -26.14 66.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.9 m-85 -135.06 83.67 39.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.68 0.752 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.58 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.32 150.29 43.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 -21.68 11.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.98 138.04 97.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 111.099 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.23 4.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.39 23.35 54.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -43.59 -73.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.534 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 46.0 m95 -56.24 -33.01 65.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' HA ' HG22 ' A' ' 45' ' ' VAL . 22.1 mt-10 -64.89 -32.43 74.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.583 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 10.0 mttm -83.62 -45.3 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.517 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -59.64 -37.96 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.625 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.5 -49.45 68.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.057 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.37 -24.57 66.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -84.67 -48.06 9.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 19' ' ' LEU . 33.1 mt -72.49 -24.88 61.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.05 23.42 27.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.625 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 79.8 mtt-85 -122.6 -177.73 3.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.531 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.9 m -91.38 143.49 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.58 ' O ' HG22 ' A' ' 49' ' ' THR . 55.3 t -36.0 -72.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.455 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 3.3 t -46.59 -42.58 16.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.71 -41.29 66.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -73.74 -66.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.07 -41.87 17.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.3 m -60.53 -28.26 68.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.528 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 13.0 tppt? -86.15 -49.38 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.62 91.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.53 -33.71 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.47 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 29.0 mt-30 -71.04 -34.17 71.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.8 mt -71.86 -41.56 67.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' O ' HG22 ' A' ' 59' ' ' VAL . 22.9 ttmt -57.44 -44.07 84.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' SER . 2.8 m-20 -65.35 -42.02 93.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.5 t -34.62 -67.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 56' ' ' LYS . 33.5 m -55.08 174.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 60' ' ' THR . 14.8 t -112.3 41.31 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' THR . 49.3 t -37.18 -55.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.2 p -131.27 144.29 52.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 99.81 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.06 66.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.5 ttt -174.82 141.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.782 0.325 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 p -124.37 145.03 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 p -138.45 168.44 19.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.74 81.2 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.439 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 176.81 6.25 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.7 2.267 . . . . 0.0 112.349 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.2 t -139.61 131.33 27.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.6 p -167.43 113.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -87.4 96.76 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -72.78 89.6 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.22 -83.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -115.08 122.21 45.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 0.0 110.825 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -90.19 176.23 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.47 -175.61 19.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.28 143.57 26.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.551 0.691 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -177.29 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.698 2.265 . . . . 0.0 112.366 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 7.4 pt-20 -82.64 -177.9 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.592 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 73.0 m95 -98.09 130.96 44.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.0 p -118.84 150.83 39.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.4 mt-10 -34.83 -39.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.81 -46.04 86.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.554 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -75.13 -27.88 59.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 mt -78.77 -35.58 44.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 -34.53 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -66.32 -42.21 88.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.0 tp -46.81 -50.74 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.5 m -53.02 -35.73 59.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -71.66 -45.66 61.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.479 ' OG ' HG23 ' A' ' 37' ' ' ILE . 62.8 p -63.6 -47.59 80.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 mtp -44.32 -36.17 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.8 t -70.09 -42.95 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -66.28 -25.99 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.8 m-85 -135.0 83.6 39.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.12 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.48 150.26 41.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.32 -18.38 23.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.3 137.97 94.12 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.576 0.703 . . . . 0.0 111.127 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 116.09 4.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.703 2.268 . . . . 0.0 112.376 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.33 23.58 56.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -44.33 -73.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.521 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 48.8 m95 -56.6 -32.22 65.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' A' ' 45' ' ' VAL . 20.7 mt-10 -66.35 -31.15 71.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.3 mttm -84.23 -45.81 12.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.521 HG22 HG11 ' A' ' 48' ' ' VAL . 96.1 mt -59.23 -38.08 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.13 -49.06 71.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -61.08 -24.96 66.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -83.11 -50.45 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.93 -23.56 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.12 15.84 55.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.58 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 84.2 mtt-85 -114.6 -174.81 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 48' ' ' VAL . 42.7 m -92.66 145.2 24.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 49' ' ' THR . 21.4 t -38.93 -72.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.448 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 9.6 t -47.48 -39.15 15.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -56.9 -40.8 76.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -73.83 -65.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -47.94 -43.39 29.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.9 m -60.39 -25.45 65.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.592 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tppt? -89.33 -49.53 6.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.73 -36.08 73.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -31.73 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -73.65 -19.82 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.4 mt -86.58 -37.62 17.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -66.51 -23.74 66.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -80.03 -61.18 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.2 t -73.06 102.4 3.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.0 t -116.91 136.73 53.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.3 p -124.26 81.84 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.3 t -92.66 -54.54 3.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.0 p -58.85 142.01 84.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.71 0.767 . . . . 0.0 110.829 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 151.3 69.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -42.51 136.71 3.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.421 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -158.06 155.35 29.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.6 p -105.94 132.14 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.405 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 48.3 t -148.6 130.21 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.83 -72.83 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.405 ' HD2' ' C ' ' A' ' 67' ' ' SER . 52.7 Cg_endo -69.85 140.08 41.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.228 . . . . 0.0 112.292 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -107.14 172.55 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.0 p -94.03 130.77 40.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p 42.31 42.44 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.822 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -57.93 99.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.06 58.32 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p -105.43 -40.21 5.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.833 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 t -83.19 -49.21 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.13 -163.11 20.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.01 148.87 37.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.69 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 158.59 56.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.38 -178.09 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.541 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 70.7 m95 -97.25 134.97 39.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASP . 61.2 p -122.03 149.54 43.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.5 mt-10 -33.11 -43.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -59.62 -47.67 84.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.541 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.18 -30.04 63.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -77.8 -29.63 50.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.77 -33.79 27.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 8.8 mm100 -66.63 -40.31 88.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 tp -49.52 -46.85 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.4 m -56.41 -31.78 64.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -78.78 -43.4 25.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.438 ' OG ' HG23 ' A' ' 37' ' ' ILE . 57.7 p -64.94 -48.55 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.6 mtp -44.47 -35.34 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.4 t -70.84 -42.07 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -67.51 -25.9 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.4 m-85 -135.05 83.68 39.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -170.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.97 150.47 41.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.62 -21.61 10.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.46 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.7 138.0 97.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.573 0.702 . . . . 0.0 111.141 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 24.63 44.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -44.53 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.349 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 41.8 m95 -56.92 -31.72 65.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.62 -31.28 71.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.1 mttm -84.31 -45.3 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.498 HG22 HG11 ' A' ' 48' ' ' VAL . 96.3 mt -59.98 -37.35 72.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.576 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.25 -49.37 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.045 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.8 -28.83 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -80.16 -50.28 10.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 50.1 mt -70.35 -24.41 62.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.85 22.92 34.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.576 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 81.1 mtt-85 -120.56 -177.25 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.1 m -91.41 143.7 26.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.529 ' O ' HG22 ' A' ' 49' ' ' THR . 42.1 t -35.97 -74.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.479 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 7.1 t -45.42 -40.51 8.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.95 -43.93 70.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.498 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -71.93 -66.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.97 -41.43 16.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 m -61.67 -28.43 69.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.533 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.9 tppt? -85.81 -46.25 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.15 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.21 -36.24 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 36.7 mt-30 -68.81 -43.72 75.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.82 -42.61 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -49.25 -46.81 46.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -76.69 -42.75 40.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.8 t -40.28 -49.96 2.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.4 m -76.36 170.14 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.5 p -132.66 -45.68 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.6 t 52.21 40.67 29.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -98.91 154.38 37.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -1.43 8.44 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 154.17 171.61 21.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.6 mmt -44.46 165.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.1 p -95.03 151.09 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.5 t -104.96 166.91 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.24 -157.86 16.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 148.49 64.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.305 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.0 p -105.91 164.53 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.6 m -55.88 135.28 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -131.01 88.93 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -77.34 163.81 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.0 -57.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -121.67 -57.64 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.832 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t 40.37 42.76 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.17 -126.8 3.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.28 145.99 7.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -175.49 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.65 -177.86 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 69.3 m95 -96.98 132.47 42.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' ASP . 59.8 p -118.87 150.06 40.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.0 mt-10 -33.8 -42.65 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -60.81 -47.16 87.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.88 -28.73 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 mt -78.7 -30.73 46.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.24 -33.88 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.5 mm-40 -66.94 -41.36 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -47.03 -51.0 18.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.5 m -52.02 -33.49 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -75.39 -45.84 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -62.31 -48.58 79.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.1 mtt -44.53 -36.43 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.34 -42.12 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -67.72 -26.34 66.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.2 m-85 -135.05 83.73 38.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.07 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.21 150.04 44.98 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.59 -15.99 38.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.493 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.71 137.81 85.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 117.96 5.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.17 22.86 60.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -44.76 -72.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.522 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 33.9 m95 -55.99 -33.07 64.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -65.45 -32.65 74.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.582 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.8 mttm -83.23 -44.83 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.579 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -60.21 -38.0 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.48 -47.48 75.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -62.55 -24.75 67.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -83.48 -50.61 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 53.2 mt -70.2 -20.84 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.26 11.12 60.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.613 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 82.1 mtt-85 -111.76 -175.21 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.812 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.3 m -94.11 160.07 14.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 49' ' ' THR . 24.8 t -47.86 -74.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.486 ' HA ' HG23 ' A' ' 49' ' ' THR . 7.9 t -46.6 -39.23 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -55.57 -42.83 75.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 44' ' ' SER . 1.3 t -73.98 -65.3 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -48.15 -47.95 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 46' ' ' THR . 95.9 m -56.64 -27.38 58.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -85.96 -50.6 6.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.89 88.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -50.36 -32.11 16.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.471 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 40.1 mt-30 -75.17 -24.96 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.5 mt -87.37 -38.61 16.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -72.1 -37.07 69.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -74.1 -51.31 16.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -62.26 86.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.0 m -133.37 -177.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.0 p -120.69 86.31 2.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.6 t -134.52 145.19 48.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.7 p -43.8 149.52 0.64 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -22.75 31.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 0.0 112.374 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.37 135.01 2.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.3 ttm -114.08 114.22 25.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.41 -8.52 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -85.07 165.48 17.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.58 169.43 28.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 89.08 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t 58.48 43.2 19.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.0 p -164.46 149.69 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -94.68 122.73 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.882 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -62.91 -35.65 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.25 85.89 0.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -94.83 43.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -95.22 130.25 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.64 -71.46 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.85 148.05 1.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.56 0.695 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -170.03 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.238 . . . . 0.0 112.358 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.6 pt-20 -87.55 -177.72 5.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.55 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 74.6 m95 -99.42 134.08 42.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' ASP . 72.9 p -122.11 148.76 44.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.1 mt-10 -32.45 -37.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 12' ' ' THR . 3.2 tp10 -63.56 -51.02 67.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.55 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -71.69 -35.25 70.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 mt -71.09 -26.44 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -84.2 -31.05 25.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.6 mt-30 -71.16 -41.79 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.7 tp -46.56 -47.15 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.6 m -59.22 -31.27 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -77.75 -42.87 32.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 p -66.7 -47.54 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mtp -44.49 -34.68 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.0 t -70.63 -42.38 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -67.45 -26.42 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.8 m-85 -134.99 83.79 39.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -174.88 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.258 . . . . 0.0 112.313 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.33 150.71 47.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.71 -18.51 19.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.01 137.45 95.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.541 0.686 . . . . 0.0 111.186 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 111.76 2.9 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.7 21.08 52.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -43.89 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 40.8 m95 -55.41 -32.63 62.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -66.6 -31.43 72.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.5 mttt -84.68 -45.09 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.506 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -60.07 -37.38 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.15 -48.55 70.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -60.57 -26.35 66.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.69 -50.13 9.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 48.6 mt -70.02 -24.56 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.69 17.9 46.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.554 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 75.3 mtt-85 -116.21 -176.01 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.1 m -93.99 144.14 25.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 49' ' ' THR . 16.5 t -35.2 -74.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.519 ' N ' HG12 ' A' ' 45' ' ' VAL . 13.5 t -45.04 -41.8 7.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.45 ' N ' HG23 ' A' ' 46' ' ' THR . 12.4 t0 -53.86 -42.5 68.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.506 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -73.84 -65.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.63 -41.0 14.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 79.8 m -62.49 -28.67 69.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.3 tppt? -85.46 -48.13 9.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.44 92.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.56 -39.01 15.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 36.5 mt-30 -64.84 -37.87 89.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.9 mt -68.65 -44.22 74.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -53.94 -51.58 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.41 -54.88 10.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -73.64 102.46 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.87 166.13 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.9 p -127.08 99.84 5.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.2 t -111.83 -59.06 2.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -90.07 143.69 30.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.907 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.47 131.63 2.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -91.67 160.55 15.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.6 p -67.06 -22.18 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -47.93 142.11 5.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.24 -158.06 8.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.3 p -151.0 -176.35 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -142.38 156.92 45.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 t -129.72 -48.48 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -101.62 104.33 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.62 87.36 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m 44.69 43.21 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.823 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -89.86 126.96 35.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -163.33 27.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.6 148.87 65.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.38 6.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.1 pt-20 -83.24 -177.74 6.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.589 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 71.3 m95 -101.16 133.9 45.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.0 p -120.1 149.09 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.3 mt-10 -33.15 -43.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -60.45 -48.71 80.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -72.09 -28.34 63.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.82 -30.12 40.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.1 -33.8 29.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.488 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 5.4 mm100 -67.08 -43.88 81.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 tp -44.57 -46.96 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.0 m -57.95 -32.76 68.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -76.96 -42.17 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.457 ' OG ' HG23 ' A' ' 37' ' ' ILE . 56.3 p -66.78 -46.56 74.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.5 mtt -45.64 -35.81 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.3 t -69.86 -42.96 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -66.4 -26.04 67.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.1 m-85 -134.98 83.6 39.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -171.82 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.64 151.15 44.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.8 -20.79 10.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.51 137.84 97.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 112.56 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.88 25.49 37.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -46.31 -72.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.664 ' HB3' HG13 ' A' ' 45' ' ' VAL . 40.8 m95 -57.41 -29.35 64.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -69.05 -32.08 71.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.8 mttt -83.63 -46.09 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.483 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -58.56 -38.58 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.649 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.84 -48.83 72.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -59.83 -28.54 67.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -80.75 -51.22 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 54.2 mt -69.14 -24.67 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.22 22.81 31.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.649 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 82.5 mtt-85 -121.81 -176.23 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.533 ' O ' HG23 ' A' ' 48' ' ' VAL . 21.2 m -94.47 145.49 24.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 34' ' ' TRP . 88.9 t -36.5 -74.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.459 ' HA ' HG23 ' A' ' 49' ' ' THR . 2.6 t -44.66 -42.24 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.35 -42.53 70.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -74.5 -67.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.29 -43.46 15.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.182 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' THR . 77.3 m -61.43 -28.0 68.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.589 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 10.7 tppt? -84.66 -48.59 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.68 -47.33 86.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -33.35 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -71.57 -43.61 66.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.3 -40.05 95.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -52.79 -41.73 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' SER . 22.2 t0 -78.16 -45.95 21.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.827 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' ASP . 42.3 t -35.4 -60.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.6 m -51.89 175.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.7 t -108.23 41.12 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.7 m -129.15 88.88 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.5 p -140.78 143.9 33.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.882 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -175.07 1.04 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.78 175.58 24.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' VAL . 1.3 mpt? -97.91 81.57 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' MET . 32.7 m 34.22 39.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 p -104.7 136.59 43.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.2 151.46 16.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -48.76 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 81.0 p -112.27 114.13 26.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.2 p -84.49 -24.91 29.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -82.33 103.55 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m 52.12 47.92 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.35 116.47 1.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -65.19 -50.54 65.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -92.1 -55.63 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.74 -79.88 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.72 142.41 28.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.711 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 172.61 12.34 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.739 2.293 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.523 ' OE1' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER -70.46 -177.84 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 71.9 m95 -97.07 129.33 44.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.523 HG23 ' OE1' ' A' ' 10' ' ' GLU . 71.1 p -117.2 150.63 38.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.8 mt-10 -34.18 -40.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -62.85 -47.11 84.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.567 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.58 -28.48 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.0 -27.62 33.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -85.43 -31.97 22.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.04 -45.62 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -41.78 -53.57 3.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.6 m -48.48 -35.38 12.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -74.25 -47.44 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.456 ' OG ' HG23 ' A' ' 37' ' ' ILE . 61.1 p -60.12 -47.78 84.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.6 mtp -44.57 -36.45 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.54 -42.64 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -66.96 -26.5 66.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.5 m-85 -134.95 83.93 38.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.719 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -173.28 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.55 151.48 46.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.55 -21.43 8.98 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.55 138.1 97.27 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.542 0.687 . . . . 0.0 111.17 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.02 2.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.94 25.45 37.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -45.64 -72.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 38.4 m95 -57.01 -30.7 64.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -67.67 -31.99 72.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.3 mttm -83.74 -44.68 14.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.504 HG22 HG11 ' A' ' 48' ' ' VAL . 95.3 mt -60.85 -39.02 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.607 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.26 -47.37 79.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -61.28 -28.1 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.22 -51.3 8.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.7 mt -68.64 -21.52 64.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.0 19.57 50.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.607 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 83.1 mtt-85 -119.17 -174.83 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.807 ' O ' HG23 ' A' ' 48' ' ' VAL . 75.0 m -93.07 157.93 16.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.641 ' O ' HG22 ' A' ' 49' ' ' THR . 22.9 t -48.92 -74.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 5.5 t -45.61 -39.12 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -47.41 78.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 44' ' ' SER . 1.1 t -68.81 -65.21 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.94 -51.58 16.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -53.64 -23.99 12.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.1 tppt? -89.34 -50.24 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -57.37 -39.84 76.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.092 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -54.76 -39.46 68.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 45.7 mt-30 -65.1 -20.89 66.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 52' ' ' ALA . 41.5 mt -81.97 -32.93 30.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -77.19 -23.72 51.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -77.77 -51.41 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -89.45 88.94 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.65 174.42 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 61' ' ' CYS . 8.4 t -108.91 -40.7 4.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.4 ' N ' HG23 ' A' ' 60' ' ' THR . 50.6 t -66.48 99.6 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.8 p -164.26 153.38 11.78 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -0.03 6.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.6 -140.23 14.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -138.08 145.91 42.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.7 t -93.6 104.57 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.4 t -122.86 152.83 40.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.56 83.61 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.28 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t 60.91 39.85 16.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.4 m -134.29 -49.23 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -54.08 -44.28 71.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 t -62.83 158.49 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.31 158.58 27.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -110.84 124.0 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.836 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -86.69 96.66 10.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.92 53.57 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.66 143.81 10.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 157.95 58.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.6 pt-20 -63.33 -177.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.59 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 79.4 m95 -102.08 120.56 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' ASP . 69.5 p -120.19 155.19 33.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.5 mt-10 -33.75 -36.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' THR . 38.6 tt0 -64.5 -48.99 73.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.59 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.7 m-20 -74.15 -31.66 62.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.72 -26.89 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -84.97 -32.76 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -69.57 -36.83 76.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.6 tp -53.35 -51.86 61.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 m -50.19 -30.66 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -77.21 -47.42 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 p -62.8 -47.74 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.1 mtp -45.21 -36.01 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.94 -42.2 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -67.78 -26.01 65.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 6.9 m-85 -134.99 83.49 39.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -174.12 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.85 150.48 46.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.34 -20.03 15.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.44 137.89 96.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 113.94 3.53 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.8 23.86 48.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -44.78 -73.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 45.5 m95 -55.87 -31.85 63.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.89 -31.84 72.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.575 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.1 mttm -83.88 -45.43 13.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.518 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -59.58 -41.28 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.47 79.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -59.98 -24.66 64.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.77 -49.17 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.04 -14.9 61.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.8 18.8 71.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 7.4 mtt-85 -112.8 -174.73 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' VAL . 50.1 m -94.58 139.7 30.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.57 ' O ' HG22 ' A' ' 49' ' ' THR . 19.3 t -33.59 -74.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.478 ' N ' HG12 ' A' ' 45' ' ' VAL . 7.4 t -45.89 -40.46 10.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -54.06 -46.62 72.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.518 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -68.86 -66.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.63 -47.58 20.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -58.2 -25.35 61.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.486 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 3.4 tppt? -87.17 -49.35 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.3 93.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.36 -34.22 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.459 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 71.9 mt-30 -70.61 -39.95 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.7 mt -67.0 -36.81 82.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' O ' HG13 ' A' ' 59' ' ' VAL . 13.6 ttpt -60.48 -53.6 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' O ' HG22 ' A' ' 59' ' ' VAL . 13.5 t0 -58.96 -44.07 91.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -61.33 86.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 56' ' ' LYS . 27.5 m -139.76 177.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.4 p -107.55 90.03 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 62' ' ' SER . 52.4 t -156.65 135.83 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' CYS . 38.7 m -36.91 123.15 0.81 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.687 0.756 . . . . 0.0 110.834 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 166.42 27.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.75 152.76 19.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 32.2 mtt -103.41 -47.34 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 p -106.13 136.08 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -101.51 96.67 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.99 -157.53 31.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 128.2 15.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.635 2.223 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 m -61.96 130.81 47.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -171.83 157.2 4.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -96.27 -44.3 7.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 0.0 110.896 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -59.45 117.04 4.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.3 -178.62 32.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -130.01 107.04 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.367 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -172.99 121.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.66 135.24 2.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.26 143.93 29.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.08 35.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 23.2 pm0 -67.3 -177.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 72.4 m95 -97.4 134.82 40.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 73.0 p -122.67 150.34 42.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.2 mt-10 -33.9 -41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.21 -47.16 85.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.552 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.25 -28.81 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -78.12 -32.97 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.63 -33.13 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -67.04 -39.46 86.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 tp -49.68 -50.59 43.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.1 m -51.79 -33.05 33.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -75.26 -44.74 44.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.3 p -64.36 -47.99 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.3 mtp -44.68 -34.86 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.54 -42.5 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -67.45 -26.01 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.6 m-85 -134.88 83.39 40.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.74 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -173.67 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.24 150.84 46.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.07 -19.63 16.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.15 138.06 95.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 114.91 3.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.749 2.299 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.57 23.69 52.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -45.06 -72.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.747 ' HB3' HG13 ' A' ' 45' ' ' VAL . 40.9 m95 -56.44 -30.31 62.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.476 ' HA ' HG22 ' A' ' 45' ' ' VAL . 15.5 mt-10 -68.46 -31.75 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 13.0 mttt -83.71 -45.36 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.482 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -59.33 -38.36 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.694 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.95 -48.86 72.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -59.88 -28.54 67.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -80.68 -50.11 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.43 -23.96 62.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.4 19.19 42.57 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.694 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 85.7 mtt-85 -118.92 -177.35 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.528 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.4 m -93.04 142.97 26.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.747 HG13 ' HB3' ' A' ' 34' ' ' TRP . 74.9 t -35.39 -72.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.462 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 4.2 t -44.57 -44.74 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' N ' HG23 ' A' ' 46' ' ' THR . 2.6 t70 -53.29 -40.28 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -75.29 -66.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.07 -43.93 15.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -59.32 -28.68 67.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.574 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 1.4 tppm? -86.66 -49.29 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.85 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -49.97 -35.39 24.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.471 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 35.6 mt-30 -69.36 -39.29 78.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.58 -44.08 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -52.03 -44.29 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.43 -44.88 64.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.8 t -39.68 -51.65 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -73.49 151.46 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 t -121.48 125.95 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.3 p -161.19 132.07 5.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.5 p -159.81 148.14 13.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.676 0.75 . . . . 0.0 110.89 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -173.37 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.254 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.68 45.29 3.09 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.2 mtm -79.72 88.77 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.5 m -153.49 169.64 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.1 m -93.36 173.6 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.28 -73.59 1.04 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 131.34 21.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.1 m -88.05 157.95 18.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -54.19 168.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -82.89 113.19 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -117.93 82.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.24 41.99 84.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 p -118.82 126.34 51.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -84.09 49.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.39 145.19 4.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -165.66 143.93 4.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.58 33.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 11.0 pt-20 -70.21 -177.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.587 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 72.4 m95 -96.08 133.19 40.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 15' ' ' ASP . 73.9 p -122.24 150.54 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.3 mt-10 -33.61 -37.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' THR . 25.8 tt0 -63.99 -48.42 76.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.587 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.4 -31.0 62.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.14 -26.88 48.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -85.32 -32.12 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.475 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 8.5 mm100 -69.3 -42.74 75.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -46.61 -49.9 18.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.5 m -55.16 -30.81 60.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -79.87 -42.97 23.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.8 p -65.05 -48.32 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.1 mtp -43.78 -36.1 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.17 -42.5 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -67.59 -26.12 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 6.4 m-85 -134.98 83.57 39.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.716 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -170.62 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.15 152.0 44.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.01 -23.52 5.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.56 137.92 92.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 111.14 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 110.14 2.46 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.91 27.34 29.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -46.15 -72.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.525 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 45.1 m95 -57.03 -30.25 64.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HA ' HG22 ' A' ' 45' ' ' VAL . 16.7 mt-10 -67.51 -33.36 74.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 10.3 mttm -82.03 -45.41 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.494 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -58.99 -38.95 76.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.28 -47.23 80.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -60.79 -28.77 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -81.19 -51.49 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 69.4 mt -67.75 -27.0 66.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.3 20.37 35.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.556 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 79.4 mtt-85 -118.23 -176.13 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.487 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.3 m -92.14 143.65 26.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.556 ' O ' HG22 ' A' ' 49' ' ' THR . 41.9 t -36.12 -73.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.447 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 2.8 t -48.87 -35.73 15.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -58.98 -39.0 80.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.494 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.8 -65.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.8 -43.1 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.7 m -62.08 -25.0 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.556 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 11.9 tppt? -86.77 -42.69 13.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.709 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -64.01 -45.46 88.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.19 -33.09 7.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.456 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 36.9 mt-30 -70.62 -40.09 73.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 52' ' ' ALA . 13.1 mt -60.64 -41.02 94.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -46.67 -44.32 18.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -71.23 -52.64 17.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.3 t -45.88 -62.18 1.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 55' ' ' LEU . 35.6 m -54.9 176.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.9 p -108.43 85.21 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.4 m -112.42 -55.2 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.0 p -125.99 78.62 69.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 158.54 56.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.8 -138.85 10.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 mmt -104.64 129.03 52.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.2 m -108.81 40.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -70.98 -43.71 67.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.42 -151.85 42.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -173.27 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.334 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -150.54 123.32 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -91.58 122.93 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -156.39 127.6 7.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -89.6 135.62 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.72 143.01 34.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.455 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -105.83 -49.16 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -109.58 -41.91 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.62 135.72 12.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.96 148.88 98.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.45 65.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 13.8 pt-20 -73.73 -177.88 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CH2' ' HD2' ' A' ' 43' ' ' ARG . 71.5 m95 -100.65 132.33 46.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' ASP . 65.1 p -120.75 150.7 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' THR . 7.4 mt-10 -34.33 -44.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -59.06 -45.14 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.515 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -74.95 -30.54 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 mt -78.76 -27.17 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.91 -33.0 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.482 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.0 mm100 -69.04 -40.64 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 tp -47.34 -59.44 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.8 m -46.32 -35.02 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -75.02 -46.13 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.7 p -61.45 -46.0 91.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.8 mtp -45.3 -35.58 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.84 -41.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -67.52 -26.02 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.7 m-85 -135.01 83.47 39.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -174.62 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.72 150.96 47.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.12 -19.61 16.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.06 138.08 96.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 111.175 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 113.27 3.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.84 26.55 37.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -47.69 -72.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.329 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.522 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 34.1 m95 -58.29 -27.09 63.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -70.8 -32.91 70.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.583 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.9 mttt -83.41 -44.94 14.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.488 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -59.26 -37.07 66.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.28 -49.33 67.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -59.68 -27.83 66.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.56 -49.95 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 82.8 mt -71.53 -22.1 61.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.98 19.62 50.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.598 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 69.3 mtt-85 -117.68 -174.98 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.353 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.786 ' O ' HG23 ' A' ' 48' ' ' VAL . 13.4 m -91.39 156.85 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 49' ' ' THR . 24.4 t -50.23 -74.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.471 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 8.8 t -46.93 -36.47 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -43.99 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -71.01 -65.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.42 -41.82 20.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.9 m -62.93 -26.68 68.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.6 tppt? -87.17 -45.78 10.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -62.0 -41.29 97.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -53.29 -34.15 56.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.42 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 61.4 mt-30 -70.79 -22.93 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 52' ' ' ALA . 20.0 mt -83.21 -36.96 24.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -71.64 -23.4 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -82.47 -50.81 8.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 m -62.55 103.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.5 t -149.0 137.55 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 60' ' ' THR . 5.3 t -124.44 111.86 16.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.26 156.13 42.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.1 t -70.47 140.86 87.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.72 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -175.32 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.92 130.7 1.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 1.6 tpt -97.55 113.24 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -75.99 -38.3 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -87.19 153.89 21.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.78 84.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 -12.5 33.05 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.28 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.5 t -120.39 74.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.3 p -61.06 118.19 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 m -111.31 167.73 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -98.91 113.75 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.53 174.17 39.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -153.16 140.93 20.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.39 . . . . 0.0 110.81 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -43.26 -52.93 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.22 -161.7 27.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.78 144.2 93.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 161.94 43.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -69.24 -177.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.576 ' CH2' ' HD2' ' A' ' 43' ' ' ARG . 71.7 m95 -97.76 131.76 43.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' ASP . 72.3 p -119.47 150.12 40.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.2 mt-10 -33.76 -42.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.89 -46.86 88.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.544 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.79 -29.21 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.64 -30.64 46.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.71 -33.86 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -69.33 -39.66 78.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HA ' HD11 ' A' ' 41' ' ' LEU . 55.0 tp -45.09 -55.23 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.0 m -50.09 -40.52 45.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -64.62 -46.11 84.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.439 ' OG ' HG23 ' A' ' 37' ' ' ILE . 37.3 p -65.04 -45.8 83.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.1 mtp -45.62 -34.79 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.81 -42.86 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -66.02 -25.41 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 10.1 m-85 -135.0 83.21 40.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.667 0.746 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -171.58 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.88 150.99 43.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.64 -18.7 18.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.97 137.59 94.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.591 0.71 . . . . 0.0 111.176 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 115.49 4.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.02 24.29 52.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -44.78 -73.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.523 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 37.9 m95 -57.07 -31.37 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.32 -30.82 70.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.8 mttm -84.36 -45.09 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.498 HG22 HG11 ' A' ' 48' ' ' VAL . 96.6 mt -60.14 -37.88 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.647 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.89 -49.37 70.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.092 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.99 -29.78 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.02 -50.55 10.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD11 ' HA ' ' A' ' 19' ' ' LEU . 39.0 mt -69.78 -23.26 63.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.86 15.6 53.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.647 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 85.7 mtt-85 -116.02 -176.34 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.796 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.9 m -91.59 159.21 16.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.577 ' O ' HG22 ' A' ' 49' ' ' THR . 45.1 t -48.09 -74.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.494 ' HA ' HG23 ' A' ' 49' ' ' THR . 11.3 t -46.64 -40.24 12.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 46' ' ' THR . 4.4 m-20 -53.94 -40.27 66.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -77.68 -67.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.29 -46.4 17.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 46' ' ' THR . 97.4 m -57.92 -28.72 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 13.1 tppt? -85.8 -51.25 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -57.17 -45.11 83.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -32.81 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -71.77 -33.51 68.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 52' ' ' ALA . 11.5 mt -73.79 -38.36 64.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -65.79 -42.03 91.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 59' ' ' VAL . 1.0 OUTLIER -69.46 -60.04 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 m -60.42 103.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 57' ' ' ASP . 23.6 t -129.81 138.41 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.6 p -120.62 107.38 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.3 m -154.15 131.74 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 93.7 p -72.97 144.4 85.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.712 0.768 . . . . 0.0 110.806 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' GLY . 53.8 Cg_endo -69.79 159.13 54.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 63' ' ' PRO . . . 35.09 -149.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 45.0 mtm -119.42 139.38 52.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.309 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 66' ' ' VAL . 33.8 m -91.23 125.28 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.6 m -130.93 -53.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 143.07 83.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 143.24 50.36 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -106.29 94.44 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -148.6 165.68 30.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -133.42 118.89 18.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -120.64 120.38 35.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.0 -129.14 5.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -71.18 91.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -150.52 155.31 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.4 -124.8 0.73 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 142.05 91.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.708 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.2 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 8.8 pt-20 -80.14 -177.89 6.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 73.8 m95 -97.17 130.53 44.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ASP . 57.2 p -118.96 150.74 39.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.3 mt-10 -33.94 -43.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -61.11 -46.67 89.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.528 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.94 -27.55 61.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -80.74 -29.52 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -33.65 27.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.76 -39.45 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -47.89 -47.45 31.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -55.21 -31.57 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? -75.83 -43.39 46.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 p -66.12 -46.45 77.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.3 mtp -46.22 -35.07 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -70.25 -42.35 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -67.45 -26.39 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.2 m-85 -133.92 83.04 47.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -173.86 0.79 Allowed 'Trans proline' 0 N--CA 1.466 -0.132 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.53 149.69 43.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.34 -15.1 41.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.45 137.65 86.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 115.81 4.27 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' C ' ' HD2' ' A' ' 36' ' ' LYS . . . 82.66 21.91 59.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -44.25 -72.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.528 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 43.7 m95 -55.08 -34.33 63.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 45' ' ' VAL . 18.6 mt-10 -65.34 -31.24 72.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 7.3 mttm -83.9 -46.0 12.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.557 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -58.64 -37.81 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.638 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.67 -48.46 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.062 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.97 -25.19 66.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -83.22 -50.47 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.1 mt -71.23 -22.48 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.31 22.51 34.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.638 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 87.4 mtt-85 -120.44 -175.2 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.635 ' O ' HG23 ' A' ' 48' ' ' VAL . 39.2 m -94.0 149.77 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 49' ' ' THR . 16.6 t -40.47 -72.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.502 ' HA ' HG23 ' A' ' 49' ' ' THR . 8.4 t -47.96 -40.31 21.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.89 -38.32 67.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 44' ' ' SER . 1.1 t -78.09 -65.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.83 -42.32 17.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -62.97 -27.21 69.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 14.5 tppt? -86.33 -49.17 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.97 92.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -31.47 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -73.28 -34.51 65.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.9 mt -73.62 -33.62 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -72.25 -32.77 66.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 58' ' ' SER . 0.2 OUTLIER -69.2 -44.79 71.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 15.4 t -48.18 -54.25 14.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.6 m -80.89 170.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.76 -51.11 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.2 t 57.58 51.79 9.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.7 p -51.71 145.86 15.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -33.84 15.77 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.07 114.55 1.59 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.3 tpp -44.74 125.4 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.2 t -73.0 85.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -155.72 165.42 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.83 -81.22 1.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 2.227 . . . . 0.0 112.342 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.8 p -160.02 157.61 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 t -59.74 163.49 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -96.54 112.3 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 110.848 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -168.36 173.61 7.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.84 178.31 1.0 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -104.12 107.88 18.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.821 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -145.85 137.21 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.15 -98.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.13 143.41 1.03 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.599 0.714 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.79 48.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.315 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.687 ' OE1' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER -51.59 -177.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 76.0 m95 -101.35 120.95 41.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.687 HG23 ' OE1' ' A' ' 10' ' ' GLU . 63.7 p -114.32 152.25 31.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.0 mt-10 -33.41 -42.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.79 -47.58 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.557 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.8 m-20 -73.56 -38.1 65.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.39 -35.66 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -78.73 -33.87 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.488 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.0 mm100 -65.17 -38.19 89.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.95 -53.87 50.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -46.77 -30.53 2.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -77.57 -48.54 16.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.456 ' OG ' HG23 ' A' ' 37' ' ' ILE . 57.6 p -61.22 -48.4 81.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 mtp -44.9 -36.92 3.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.02 -41.93 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -68.86 -25.73 64.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.9 m-85 -134.46 82.87 44.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.675 0.75 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -173.45 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.76 149.79 43.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.87 -12.76 51.91 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.518 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.18 137.78 78.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.566 0.698 . . . . 0.0 111.149 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 117.34 5.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.74 22.83 61.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -45.45 -72.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.811 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.484 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 38.7 m95 -55.66 -31.97 62.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -67.46 -31.85 72.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.3 mttm -83.41 -45.06 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.456 HG23 ' OG ' ' A' ' 22' ' ' SER . 96.7 mt -58.43 -42.73 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -61.66 -49.29 77.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -58.94 -21.71 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.813 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -87.96 -45.96 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 57.3 mt -76.57 -18.86 58.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.98 21.19 57.9 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 11.3 mtt-85 -115.57 -175.16 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.4 m -93.56 140.97 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' HG22 ' A' ' 49' ' ' THR . 24.4 t -35.16 -74.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.475 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 4.1 t -46.33 -41.51 13.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -53.21 -43.69 67.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -70.47 -65.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -48.03 -38.45 17.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.9 m -63.18 -28.11 69.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 12.9 tppt? -85.49 -48.08 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.97 94.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.55 -35.28 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.472 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 46.2 mt-30 -70.6 -28.27 64.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.7 mt -84.39 -39.12 19.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -77.89 -36.74 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' N ' ' HD2' ' A' ' 56' ' ' LYS . 17.8 t0 -75.18 -47.94 25.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.0 t -80.01 84.29 5.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.7 m -100.6 173.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.53 84.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.1 m -112.37 143.59 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.9 t -112.17 79.37 2.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.692 0.758 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 102.88 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.87 100.5 2.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 ttt -78.37 -45.74 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 p -136.55 141.59 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.6 p -81.99 118.77 23.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.2 -68.11 1.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 123.86 10.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.236 . . . . 0.0 112.323 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.1 m -128.63 162.65 26.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.3 m -116.54 -56.69 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 22.8 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 74.2 m95 -96.66 134.16 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 15' ' ' ASP . 81.5 p -123.71 150.38 44.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 12' ' ' THR . 12.4 mt-10 -32.89 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' THR . 1.0 OUTLIER -64.18 -49.57 71.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.581 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.37 -28.97 62.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD21 ' HZ3' ' A' ' 51' ' ' LYS . 19.1 mt -79.75 -26.77 40.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -86.12 -31.88 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -71.49 -40.34 70.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.3 tp -45.06 -52.1 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -51.56 -36.51 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -69.76 -45.08 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.494 ' OG ' HG23 ' A' ' 37' ' ' ILE . 66.4 p -65.03 -47.34 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.6 mtp -45.52 -35.34 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.68 -41.96 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -68.3 -25.65 65.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.577 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.2 m-85 -134.89 83.03 41.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -167.85 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.371 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.41 149.58 35.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.16 -20.09 18.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.26 137.81 96.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.577 0.703 . . . . 0.0 111.171 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 114.5 3.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.18 24.09 49.27 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -44.52 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.525 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 46.2 m95 -56.23 -32.04 64.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -66.9 -31.15 71.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 7.4 mttm -84.28 -45.75 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.533 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -59.33 -37.2 67.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.626 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.0 -48.56 70.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -60.73 -25.7 66.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -83.61 -50.56 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.4 mt -69.28 -26.4 64.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.9 23.8 24.52 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.626 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 80.0 mtt-85 -123.7 -176.7 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' VAL . 2.1 m -93.31 142.38 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.598 ' O ' HG22 ' A' ' 49' ' ' THR . 18.0 t -33.92 -72.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.456 ' N ' HG12 ' A' ' 45' ' ' VAL . 3.5 t -47.3 -38.55 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -58.43 -38.26 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.533 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -78.1 -66.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.68 -43.98 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.2 m -59.81 -27.52 66.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' HZ3' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -86.41 -48.13 8.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.34 94.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.9 pt-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.59 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 76.0 m95 -99.75 120.25 39.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 15' ' ' ASP . 44.3 p -115.89 154.1 30.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.1 mt-10 -33.96 -42.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -60.76 -46.91 88.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.535 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.4 m-20 -73.79 -28.89 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.96 -30.42 44.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.3 -34.27 32.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -67.17 -37.19 83.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.7 tp -53.68 -58.0 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 m -44.11 -39.57 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -68.49 -50.07 55.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' LYS . 2.9 p -59.22 -50.51 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.0 mtp -42.24 -34.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.1 -40.29 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' SER . 46.0 tttm -69.58 -24.85 63.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.0 m-85 -135.03 82.5 42.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -176.89 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.6 148.39 46.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.32 -15.33 45.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -69.52 137.55 88.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.58 0.705 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 112.59 3.12 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.73 2.287 . . . . 0.0 112.295 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.26 26.95 34.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -48.78 -71.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.49 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 34.9 m95 -57.71 -27.2 62.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.52 -33.62 69.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.584 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.0 mttm -82.57 -45.01 15.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.615 HG22 HG11 ' A' ' 48' ' ' VAL . 85.1 mt -57.53 -41.78 79.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -62.62 -50.09 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 3.9 t60 -58.56 -21.37 52.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.92 -45.65 9.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.2 mt -76.03 -14.4 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.62 20.66 65.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.488 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.56 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 8.3 mtt-85 -118.56 -175.09 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.748 ' O ' HG23 ' A' ' 48' ' ' VAL . 26.5 m -91.86 152.7 19.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.523 ' O ' HG22 ' A' ' 49' ' ' THR . 16.2 t -44.5 -69.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.427 ' HA ' HG23 ' A' ' 49' ' ' THR . 3.1 t -50.57 -41.19 54.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -54.16 -37.75 64.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 44' ' ' SER . 1.3 t -75.52 -67.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -47.34 -44.39 23.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -57.49 -27.24 62.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.59 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.3 tppt? -85.54 -47.61 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -45.71 93.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 18.1 pt-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.853 0.359 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 73.5 m95 -97.04 134.09 40.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.3 p -123.02 150.65 42.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.167 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.2 mt-10 -33.74 -37.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' THR . 3.8 tp10 -64.31 -48.39 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.574 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -74.35 -28.26 61.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.32 -29.69 38.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 m -83.65 -31.72 26.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -73.12 -39.14 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.408 ' CD1' HD11 ' A' ' 41' ' ' LEU . 43.7 tp -44.52 -49.98 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 m -56.33 -34.65 66.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -70.39 -44.08 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 p -68.41 -43.3 77.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.3 mtt -48.63 -32.45 8.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.7 t -73.11 -42.53 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -66.41 -24.93 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.1 m-85 -135.02 82.85 41.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -174.34 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.76 150.36 46.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.14 -16.87 31.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.22 137.23 89.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.689 . . . . 0.0 111.124 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.91 4.31 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 22.22 57.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -44.15 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.753 ' HB3' HG13 ' A' ' 45' ' ' VAL . 39.6 m95 -55.69 -32.8 63.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 45' ' ' VAL . 18.8 mt-10 -66.66 -30.87 71.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.4 mttm -84.27 -45.33 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.481 HG22 HG11 ' A' ' 48' ' ' VAL . 96.6 mt -59.56 -38.2 74.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.701 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.56 -49.53 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -59.11 -30.28 68.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.9 -50.86 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.408 HD11 ' CD1' ' A' ' 19' ' ' LEU . 42.3 mt -69.9 -23.46 63.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.16 20.39 42.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.701 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 86.0 mtt-85 -119.85 -177.71 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' VAL . 14.7 m -92.07 145.91 24.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.753 HG13 ' HB3' ' A' ' 34' ' ' TRP . 93.7 t -38.74 -73.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.458 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 2.8 t -43.2 -44.65 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -53.29 -43.09 67.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -72.77 -66.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -45.93 -43.55 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.2 m -61.07 -28.53 69.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -84.33 -49.41 8.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.42 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 75.1 m95 -100.62 119.63 38.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' ASP . 35.1 p -116.64 154.69 30.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 12' ' ' THR . 8.1 mt-10 -32.97 -44.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -57.97 -50.3 73.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.586 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.6 m-20 -70.63 -30.47 67.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.1 mt -78.02 -27.49 48.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.73 -33.46 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 2.9 mm-40 -67.13 -40.86 86.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 tp -50.45 -48.47 56.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.9 m -54.15 -25.93 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -82.58 -45.4 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 p -65.27 -46.3 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.6 mtp -46.86 -35.55 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.2 -41.2 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -68.91 -25.79 64.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.9 m-85 -135.03 83.35 40.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.656 0.741 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -170.57 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.17 150.88 41.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.86 -15.98 34.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.21 138.0 84.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.091 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.26 4.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.62 24.88 52.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -46.77 -72.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 50.0 m95 -57.25 -28.85 63.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -69.21 -33.26 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.586 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.6 mttm -83.15 -43.07 16.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.534 HG22 HG11 ' A' ' 48' ' ' VAL . 95.4 mt -61.67 -37.68 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.92 -47.55 74.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -60.82 -22.46 64.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -85.11 -51.71 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 61.7 mt -71.16 -13.05 61.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.57 21.55 66.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.478 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 5.0 mtt-85 -117.06 -174.27 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 45' ' ' VAL . 3.5 m -97.58 143.33 28.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.557 ' O ' HG22 ' A' ' 49' ' ' THR . 69.7 t -33.3 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.472 ' HA ' HG23 ' A' ' 49' ' ' THR . 4.0 t -45.0 -41.99 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -53.64 -42.32 67.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.534 HG11 HG22 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -74.57 -67.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.49 -45.68 18.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 46' ' ' THR . 70.4 m -57.48 -27.67 62.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.555 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.0 tppt? -85.3 -52.02 6.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.59 80.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 16.3 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.54 ' CG ' ' HE3' ' A' ' 51' ' ' LYS . 70.8 m95 -95.93 133.17 40.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASP . 67.0 p -120.73 150.24 41.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' THR . 8.1 mt-10 -33.29 -45.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.93 -47.09 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.539 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.57 -29.03 62.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.0 mt -79.84 -27.07 40.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.32 -33.32 22.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.485 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.6 mm-40 -67.69 -42.42 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.8 tp -47.02 -51.92 16.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.6 m -50.06 -37.25 32.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -72.5 -46.15 56.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.6 p -60.91 -50.44 73.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.3 mtp -42.24 -36.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.67 -42.01 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -68.41 -26.59 65.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.0 m-85 -134.98 83.77 39.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -169.79 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.749 2.3 . . . . 0.0 112.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.07 149.52 37.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.39 -13.72 49.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.4 137.76 81.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.603 0.716 . . . . 0.0 111.142 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.37 5.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.55 23.64 57.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -45.92 -72.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 42.4 m95 -56.65 -31.18 64.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.49 -32.67 73.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.583 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.5 mttm -83.16 -45.37 14.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.563 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -59.18 -37.85 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.621 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.93 -47.5 74.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 7.0 t60 -60.92 -26.61 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -82.36 -50.08 9.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 62.4 mt -70.54 -25.03 62.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.83 13.93 55.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.439 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.621 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 83.4 mtt-85 -112.32 -177.73 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.722 ' O ' HG23 ' A' ' 48' ' ' VAL . 21.6 m -89.9 153.44 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.579 ' O ' HG22 ' A' ' 49' ' ' THR . 48.1 t -44.57 -71.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.459 ' HA ' HG23 ' A' ' 49' ' ' THR . 4.8 t -47.51 -42.12 22.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -53.73 -41.45 67.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 44' ' ' SER . 1.2 t -73.67 -66.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.8 -45.2 19.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.7 m -58.62 -27.07 64.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 12.1 tppt? -86.11 -48.77 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.87 92.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 73.8 m95 -97.16 135.25 39.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 81.6 p -123.41 150.01 44.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' THR . 7.1 mt-10 -33.47 -37.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' THR . 10.1 tt0 -65.09 -48.77 72.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.578 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.0 -27.91 61.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -81.06 -28.36 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -84.72 -31.77 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.38 -39.37 68.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.432 ' HA ' HD11 ' A' ' 41' ' ' LEU . 57.4 tp -45.59 -50.26 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 m -54.03 -37.16 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -44.33 73.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.487 ' OG ' HG23 ' A' ' 37' ' ' ILE . 63.3 p -66.28 -45.66 79.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.4 mtp -46.41 -33.52 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -72.86 -43.01 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -66.2 -25.54 66.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 11.7 m-85 -134.96 83.22 40.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.642 0.734 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.15 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.3 151.41 46.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.43 -17.47 24.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.8 138.21 90.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 111.077 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 116.57 4.62 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.73 22.84 59.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -45.11 -72.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.668 ' HB3' HG13 ' A' ' 45' ' ' VAL . 44.1 m95 -56.99 -30.94 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' HA ' HG22 ' A' ' 45' ' ' VAL . 15.8 mt-10 -67.6 -31.65 71.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.5 mttt -84.3 -46.84 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.553 HG22 HG11 ' A' ' 48' ' ' VAL . 96.8 mt -58.03 -36.73 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.657 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.54 -49.55 66.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -60.58 -27.73 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -80.18 -47.75 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 19' ' ' LEU . 61.1 mt -73.63 -17.52 61.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.41 14.93 61.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.657 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 82.0 mtt-85 -116.95 -175.02 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.822 ' O ' HG23 ' A' ' 48' ' ' VAL . 22.4 m -95.31 158.3 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.668 HG13 ' HB3' ' A' ' 34' ' ' TRP . 69.0 t -46.16 -74.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.51 ' HA ' HG23 ' A' ' 49' ' ' THR . 12.4 t -46.35 -39.92 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 46' ' ' THR . 0.6 OUTLIER -56.06 -38.42 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -79.32 -66.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.68 -49.54 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -57.32 -23.84 51.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.552 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.6 tppt? -88.32 -48.24 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.19 87.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 70.9 m95 -96.19 134.05 39.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' ASP . 64.7 p -121.0 149.32 42.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' THR . 13.1 mt-10 -33.32 -37.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' THR . 19.8 tt0 -64.0 -48.95 74.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.581 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -73.8 -32.9 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -74.74 -27.73 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -84.97 -31.44 23.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.06 -37.09 66.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' A' ' 41' ' ' LEU . 59.6 tp -47.0 -59.33 3.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.0 m -45.51 -38.08 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -66.34 -49.18 67.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.426 ' OG ' HG23 ' A' ' 37' ' ' ILE . 53.8 p -62.02 -46.86 87.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.7 mtp -44.84 -36.22 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.92 -42.26 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -67.4 -26.14 66.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.9 m-85 -135.06 83.67 39.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.68 0.752 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.58 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.32 150.29 43.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 -21.68 11.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.98 138.04 97.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 111.099 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.23 4.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.39 23.35 54.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -43.59 -73.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.534 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 46.0 m95 -56.24 -33.01 65.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' HA ' HG22 ' A' ' 45' ' ' VAL . 22.1 mt-10 -64.89 -32.43 74.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.583 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 10.0 mttm -83.62 -45.3 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.517 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -59.64 -37.96 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.625 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.5 -49.45 68.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.057 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 12.2 t-160 -61.37 -24.57 66.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -84.67 -48.06 9.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 19' ' ' LEU . 33.1 mt -72.49 -24.88 61.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.05 23.42 27.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.625 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 79.8 mtt-85 -122.6 -177.73 3.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.531 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.9 m -91.38 143.49 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.58 ' O ' HG22 ' A' ' 49' ' ' THR . 55.3 t -36.0 -72.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.455 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 3.3 t -46.59 -42.58 16.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.71 -41.29 66.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -73.74 -66.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.07 -41.87 17.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.3 m -60.53 -28.26 68.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.528 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 13.0 tppt? -86.15 -49.38 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.62 91.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 7.4 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.592 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 73.0 m95 -98.09 130.96 44.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.0 p -118.84 150.83 39.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.4 mt-10 -34.83 -39.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.81 -46.04 86.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.554 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -75.13 -27.88 59.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 mt -78.77 -35.58 44.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 -34.53 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -66.32 -42.21 88.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.0 tp -46.81 -50.74 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.5 m -53.02 -35.73 59.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -71.66 -45.66 61.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.479 ' OG ' HG23 ' A' ' 37' ' ' ILE . 62.8 p -63.6 -47.59 80.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 mtp -44.32 -36.17 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.8 t -70.09 -42.95 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -66.28 -25.99 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.8 m-85 -135.0 83.6 39.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.12 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.48 150.26 41.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.32 -18.38 23.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.3 137.97 94.12 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.576 0.703 . . . . 0.0 111.127 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 116.09 4.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.703 2.268 . . . . 0.0 112.376 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.33 23.58 56.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -44.33 -73.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.521 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 48.8 m95 -56.6 -32.22 65.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' A' ' 45' ' ' VAL . 20.7 mt-10 -66.35 -31.15 71.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.3 mttm -84.23 -45.81 12.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.521 HG22 HG11 ' A' ' 48' ' ' VAL . 96.1 mt -59.23 -38.08 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.13 -49.06 71.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -61.08 -24.96 66.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -83.11 -50.45 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.93 -23.56 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.12 15.84 55.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.58 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 84.2 mtt-85 -114.6 -174.81 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 48' ' ' VAL . 42.7 m -92.66 145.2 24.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 49' ' ' THR . 21.4 t -38.93 -72.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.448 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 9.6 t -47.48 -39.15 15.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -56.9 -40.8 76.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -73.83 -65.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -47.94 -43.39 29.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.9 m -60.39 -25.45 65.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.592 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tppt? -89.33 -49.53 6.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.73 -36.08 73.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.541 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 70.7 m95 -97.25 134.97 39.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASP . 61.2 p -122.03 149.54 43.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.5 mt-10 -33.11 -43.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -59.62 -47.67 84.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.541 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.18 -30.04 63.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -77.8 -29.63 50.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.77 -33.79 27.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 3.8 mm-40 -66.63 -40.31 88.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 tp -49.52 -46.85 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.4 m -56.41 -31.78 64.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -78.78 -43.4 25.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.438 ' OG ' HG23 ' A' ' 37' ' ' ILE . 57.7 p -64.94 -48.55 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.6 mtp -44.47 -35.34 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.4 t -70.84 -42.07 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -67.51 -25.9 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.4 m-85 -135.05 83.68 39.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -170.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.97 150.47 41.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.62 -21.61 10.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.46 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.7 138.0 97.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.573 0.702 . . . . 0.0 111.141 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 24.63 44.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -44.53 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.349 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 41.8 m95 -56.92 -31.72 65.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.62 -31.28 71.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.1 mttm -84.31 -45.3 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.498 HG22 HG11 ' A' ' 48' ' ' VAL . 96.3 mt -59.98 -37.35 72.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.576 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.25 -49.37 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.045 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 2.2 t60 -59.8 -28.83 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -80.16 -50.28 10.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 50.1 mt -70.35 -24.41 62.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.85 22.92 34.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.576 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 81.1 mtt-85 -120.56 -177.25 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.1 m -91.41 143.7 26.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.529 ' O ' HG22 ' A' ' 49' ' ' THR . 42.1 t -35.97 -74.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.479 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 7.1 t -45.42 -40.51 8.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.95 -43.93 70.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.498 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -71.93 -66.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.97 -41.43 16.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 m -61.67 -28.43 69.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.533 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.9 tppt? -85.81 -46.25 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.15 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 69.3 m95 -96.98 132.47 42.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' ASP . 59.8 p -118.87 150.06 40.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.0 mt-10 -33.8 -42.65 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -60.81 -47.16 87.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.88 -28.73 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 mt -78.7 -30.73 46.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.24 -33.88 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.5 mm-40 -66.94 -41.36 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -47.03 -51.0 18.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.5 m -52.02 -33.49 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -75.39 -45.84 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -62.31 -48.58 79.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.1 mtt -44.53 -36.43 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.34 -42.12 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -67.72 -26.34 66.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.2 m-85 -135.05 83.73 38.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.07 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.21 150.04 44.98 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.59 -15.99 38.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.493 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.71 137.81 85.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 117.96 5.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.17 22.86 60.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -44.76 -72.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.522 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 33.9 m95 -55.99 -33.07 64.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -65.45 -32.65 74.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.582 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.8 mttm -83.23 -44.83 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.579 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -60.21 -38.0 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.48 -47.48 75.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -62.55 -24.75 67.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -83.48 -50.61 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 53.2 mt -70.2 -20.84 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.26 11.12 60.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.613 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 82.1 mtt-85 -111.76 -175.21 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.812 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.3 m -94.11 160.07 14.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 49' ' ' THR . 24.8 t -47.86 -74.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.486 ' HA ' HG23 ' A' ' 49' ' ' THR . 7.9 t -46.6 -39.23 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -55.57 -42.83 75.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 44' ' ' SER . 1.3 t -73.98 -65.3 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -48.15 -47.95 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 46' ' ' THR . 95.9 m -56.64 -27.38 58.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -85.96 -50.6 6.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.89 88.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.6 pt-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.55 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 74.6 m95 -99.42 134.08 42.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' ASP . 72.9 p -122.11 148.76 44.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.1 mt-10 -32.45 -37.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 12' ' ' THR . 3.2 tp10 -63.56 -51.02 67.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.55 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -71.69 -35.25 70.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 mt -71.09 -26.44 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -84.2 -31.05 25.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.6 mt-30 -71.16 -41.79 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.7 tp -46.56 -47.15 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.6 m -59.22 -31.27 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -77.75 -42.87 32.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 p -66.7 -47.54 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mtp -44.49 -34.68 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.0 t -70.63 -42.38 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -67.45 -26.42 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.8 m-85 -134.99 83.79 39.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -174.88 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.258 . . . . 0.0 112.313 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.33 150.71 47.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.71 -18.51 19.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.01 137.45 95.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.541 0.686 . . . . 0.0 111.186 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 111.76 2.9 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.7 21.08 52.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -43.89 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 40.8 m95 -55.41 -32.63 62.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -66.6 -31.43 72.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.5 mttt -84.68 -45.09 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.506 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -60.07 -37.38 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.15 -48.55 70.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -60.57 -26.35 66.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.69 -50.13 9.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 48.6 mt -70.02 -24.56 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.69 17.9 46.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.554 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 75.3 mtt-85 -116.21 -176.01 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.1 m -93.99 144.14 25.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 49' ' ' THR . 16.5 t -35.2 -74.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.519 ' N ' HG12 ' A' ' 45' ' ' VAL . 13.5 t -45.04 -41.8 7.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.45 ' N ' HG23 ' A' ' 46' ' ' THR . 12.4 t0 -53.86 -42.5 68.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.506 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -73.84 -65.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.63 -41.0 14.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 79.8 m -62.49 -28.67 69.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.3 tppt? -85.46 -48.13 9.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.44 92.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.419 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.1 pt-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.589 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 71.3 m95 -101.16 133.9 45.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.0 p -120.1 149.09 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.3 mt-10 -33.15 -43.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -60.45 -48.71 80.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -72.09 -28.34 63.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.82 -30.12 40.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.1 -33.8 29.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.488 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 5.4 mm100 -67.08 -43.88 81.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 tp -44.57 -46.96 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.0 m -57.95 -32.76 68.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -76.96 -42.17 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.457 ' OG ' HG23 ' A' ' 37' ' ' ILE . 56.3 p -66.78 -46.56 74.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.5 mtt -45.64 -35.81 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.3 t -69.86 -42.96 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -66.4 -26.04 67.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.1 m-85 -134.98 83.6 39.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -171.82 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.64 151.15 44.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.8 -20.79 10.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.51 137.84 97.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 112.56 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.88 25.49 37.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -46.31 -72.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.664 ' HB3' HG13 ' A' ' 45' ' ' VAL . 40.8 m95 -57.41 -29.35 64.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -69.05 -32.08 71.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.8 mttt -83.63 -46.09 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.483 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -58.56 -38.58 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.649 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.84 -48.83 72.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -59.83 -28.54 67.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -80.75 -51.22 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 54.2 mt -69.14 -24.67 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.22 22.81 31.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.649 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 82.5 mtt-85 -121.81 -176.23 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.533 ' O ' HG23 ' A' ' 48' ' ' VAL . 21.2 m -94.47 145.49 24.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 34' ' ' TRP . 88.9 t -36.5 -74.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.459 ' HA ' HG23 ' A' ' 49' ' ' THR . 2.6 t -44.66 -42.24 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.35 -42.53 70.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -74.5 -67.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.29 -43.46 15.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.182 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' THR . 77.3 m -61.43 -28.0 68.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.589 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 10.7 tppt? -84.66 -48.59 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.68 -47.33 86.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.523 ' OE1' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 71.9 m95 -97.07 129.33 44.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.523 HG23 ' OE1' ' A' ' 10' ' ' GLU . 71.1 p -117.2 150.63 38.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.8 mt-10 -34.18 -40.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -62.85 -47.11 84.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.567 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.58 -28.48 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.0 -27.62 33.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -85.43 -31.97 22.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.04 -45.62 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -41.78 -53.57 3.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.6 m -48.48 -35.38 12.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -74.25 -47.44 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.456 ' OG ' HG23 ' A' ' 37' ' ' ILE . 61.1 p -60.12 -47.78 84.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.6 mtp -44.57 -36.45 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.54 -42.64 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -66.96 -26.5 66.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.5 m-85 -134.95 83.93 38.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.719 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -173.28 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.55 151.48 46.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.55 -21.43 8.98 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.55 138.1 97.27 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.542 0.687 . . . . 0.0 111.17 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.02 2.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.94 25.45 37.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -45.64 -72.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 38.4 m95 -57.01 -30.7 64.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -67.67 -31.99 72.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.3 mttm -83.74 -44.68 14.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.504 HG22 HG11 ' A' ' 48' ' ' VAL . 95.3 mt -60.85 -39.02 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.607 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.26 -47.37 79.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 6.8 t60 -61.28 -28.1 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.22 -51.3 8.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.7 mt -68.64 -21.52 64.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.0 19.57 50.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.607 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 83.1 mtt-85 -119.17 -174.83 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.807 ' O ' HG23 ' A' ' 48' ' ' VAL . 75.0 m -93.07 157.93 16.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.641 ' O ' HG22 ' A' ' 49' ' ' THR . 22.9 t -48.92 -74.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 5.5 t -45.61 -39.12 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -47.41 78.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 44' ' ' SER . 1.1 t -68.81 -65.21 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.94 -51.58 16.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -53.64 -23.99 12.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.1 tppt? -89.34 -50.24 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.84 76.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.092 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.45 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.6 pt-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.59 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 79.4 m95 -102.08 120.56 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' ASP . 69.5 p -120.19 155.19 33.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.5 mt-10 -33.75 -36.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' THR . 38.6 tt0 -64.5 -48.99 73.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.59 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.7 m-20 -74.15 -31.66 62.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.72 -26.89 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -84.97 -32.76 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -69.57 -36.83 76.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.6 tp -53.35 -51.86 61.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 m -50.19 -30.66 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -77.21 -47.42 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 p -62.8 -47.74 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.1 mtp -45.21 -36.01 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.94 -42.2 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -67.78 -26.01 65.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 6.9 m-85 -134.99 83.49 39.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -174.12 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.85 150.48 46.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.34 -20.03 15.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.44 137.89 96.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 113.94 3.53 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.8 23.86 48.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -44.78 -73.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 45.5 m95 -55.87 -31.85 63.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.89 -31.84 72.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.575 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.1 mttm -83.88 -45.43 13.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.518 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -59.58 -41.28 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.47 79.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 5.4 t60 -59.98 -24.66 64.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.77 -49.17 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.04 -14.9 61.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.8 18.8 71.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 7.4 mtt-85 -112.8 -174.73 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' VAL . 50.1 m -94.58 139.7 30.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.57 ' O ' HG22 ' A' ' 49' ' ' THR . 19.3 t -33.59 -74.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.478 ' N ' HG12 ' A' ' 45' ' ' VAL . 7.4 t -45.89 -40.46 10.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -54.06 -46.62 72.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.518 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -68.86 -66.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.63 -47.58 20.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -58.2 -25.35 61.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.486 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 3.4 tppt? -87.17 -49.35 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.3 93.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 23.2 pm0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 72.4 m95 -97.4 134.82 40.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 73.0 p -122.67 150.34 42.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.2 mt-10 -33.9 -41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.21 -47.16 85.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.552 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.25 -28.81 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -78.12 -32.97 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.63 -33.13 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -67.04 -39.46 86.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 tp -49.68 -50.59 43.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.1 m -51.79 -33.05 33.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -75.26 -44.74 44.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.3 p -64.36 -47.99 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.3 mtp -44.68 -34.86 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.54 -42.5 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -67.45 -26.01 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.6 m-85 -134.88 83.39 40.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.74 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -173.67 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.24 150.84 46.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.07 -19.63 16.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.15 138.06 95.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 114.91 3.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.749 2.299 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.57 23.69 52.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -45.06 -72.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.747 ' HB3' HG13 ' A' ' 45' ' ' VAL . 40.9 m95 -56.44 -30.31 62.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.476 ' HA ' HG22 ' A' ' 45' ' ' VAL . 15.5 mt-10 -68.46 -31.75 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 13.0 mttt -83.71 -45.36 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.482 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -59.33 -38.36 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.694 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.95 -48.86 72.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -59.88 -28.54 67.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -80.68 -50.11 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.43 -23.96 62.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.4 19.19 42.57 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.694 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 85.7 mtt-85 -118.92 -177.35 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.528 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.4 m -93.04 142.97 26.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.747 HG13 ' HB3' ' A' ' 34' ' ' TRP . 74.9 t -35.39 -72.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.462 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 4.2 t -44.57 -44.74 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' N ' HG23 ' A' ' 46' ' ' THR . 2.6 t70 -53.29 -40.28 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -75.29 -66.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.07 -43.93 15.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -59.32 -28.68 67.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.574 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 1.4 tppm? -86.66 -49.29 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.85 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 11.0 pt-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.83 0.348 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.587 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 72.4 m95 -96.08 133.19 40.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 15' ' ' ASP . 73.9 p -122.24 150.54 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.3 mt-10 -33.61 -37.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' THR . 25.8 tt0 -63.99 -48.42 76.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.587 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.4 -31.0 62.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.14 -26.88 48.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -85.32 -32.12 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.475 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 3.5 mm-40 -69.3 -42.74 75.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -46.61 -49.9 18.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.5 m -55.16 -30.81 60.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -79.87 -42.97 23.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.8 p -65.05 -48.32 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.1 mtp -43.78 -36.1 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.17 -42.5 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -67.59 -26.12 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 6.4 m-85 -134.98 83.57 39.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.716 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -170.62 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.15 152.0 44.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.01 -23.52 5.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.56 137.92 92.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 111.14 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 110.14 2.46 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.91 27.34 29.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -46.15 -72.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.525 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 45.1 m95 -57.03 -30.25 64.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HA ' HG22 ' A' ' 45' ' ' VAL . 16.7 mt-10 -67.51 -33.36 74.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 10.3 mttm -82.03 -45.41 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.494 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -58.99 -38.95 76.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.28 -47.23 80.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -60.79 -28.77 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -81.19 -51.49 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 69.4 mt -67.75 -27.0 66.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.3 20.37 35.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.556 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 79.4 mtt-85 -118.23 -176.13 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.487 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.3 m -92.14 143.65 26.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.556 ' O ' HG22 ' A' ' 49' ' ' THR . 41.9 t -36.12 -73.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.447 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 2.8 t -48.87 -35.73 15.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -58.98 -39.0 80.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.494 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.8 -65.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.8 -43.1 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.7 m -62.08 -25.0 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.556 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 11.9 tppt? -86.77 -42.69 13.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.01 -45.46 88.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 13.8 pt-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CH2' ' HD2' ' A' ' 43' ' ' ARG . 71.5 m95 -100.65 132.33 46.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' ASP . 65.1 p -120.75 150.7 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' THR . 7.4 mt-10 -34.33 -44.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -59.06 -45.14 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.515 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -74.95 -30.54 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 mt -78.76 -27.17 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.91 -33.0 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.482 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.0 mm100 -69.04 -40.64 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 tp -47.34 -59.44 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.8 m -46.32 -35.02 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -75.02 -46.13 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.7 p -61.45 -46.0 91.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.8 mtp -45.3 -35.58 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.84 -41.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -67.52 -26.02 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.7 m-85 -135.01 83.47 39.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -174.62 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.72 150.96 47.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.12 -19.61 16.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.06 138.08 96.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 111.175 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 113.27 3.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.84 26.55 37.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -47.69 -72.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.329 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.522 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 34.1 m95 -58.29 -27.09 63.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -70.8 -32.91 70.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.583 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.9 mttt -83.41 -44.94 14.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.488 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -59.26 -37.07 66.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.28 -49.33 67.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.456 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 3.5 t60 -59.68 -27.83 66.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.56 -49.95 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 82.8 mt -71.53 -22.1 61.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.98 19.62 50.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.598 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 69.3 mtt-85 -117.68 -174.98 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.353 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.786 ' O ' HG23 ' A' ' 48' ' ' VAL . 13.4 m -91.39 156.85 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 49' ' ' THR . 24.4 t -50.23 -74.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.471 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 8.8 t -46.93 -36.47 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -43.99 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -71.01 -65.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.42 -41.82 20.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.9 m -62.93 -26.68 68.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.6 tppt? -87.17 -45.78 10.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.29 97.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.576 ' CH2' ' HD2' ' A' ' 43' ' ' ARG . 71.7 m95 -97.76 131.76 43.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' ASP . 72.3 p -119.47 150.12 40.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.2 mt-10 -33.76 -42.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.89 -46.86 88.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.544 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.79 -29.21 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.64 -30.64 46.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.71 -33.86 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -69.33 -39.66 78.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HA ' HD11 ' A' ' 41' ' ' LEU . 55.0 tp -45.09 -55.23 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.0 m -50.09 -40.52 45.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -64.62 -46.11 84.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.439 ' OG ' HG23 ' A' ' 37' ' ' ILE . 37.3 p -65.04 -45.8 83.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.1 mtp -45.62 -34.79 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.81 -42.86 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -66.02 -25.41 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 10.1 m-85 -135.0 83.21 40.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.667 0.746 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -171.58 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.88 150.99 43.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.64 -18.7 18.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.97 137.59 94.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.591 0.71 . . . . 0.0 111.176 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 115.49 4.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.02 24.29 52.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -44.78 -73.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.523 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 37.9 m95 -57.07 -31.37 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.32 -30.82 70.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.8 mttm -84.36 -45.09 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.498 HG22 HG11 ' A' ' 48' ' ' VAL . 96.6 mt -60.14 -37.88 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.647 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.89 -49.37 70.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.092 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.99 -29.78 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.02 -50.55 10.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD11 ' HA ' ' A' ' 19' ' ' LEU . 39.0 mt -69.78 -23.26 63.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.86 15.6 53.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.647 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 85.7 mtt-85 -116.02 -176.34 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.796 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.9 m -91.59 159.21 16.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.577 ' O ' HG22 ' A' ' 49' ' ' THR . 45.1 t -48.09 -74.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.494 ' HA ' HG23 ' A' ' 49' ' ' THR . 11.3 t -46.64 -40.24 12.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 46' ' ' THR . 4.4 m-20 -53.94 -40.27 66.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -77.68 -67.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.29 -46.4 17.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 46' ' ' THR . 97.4 m -57.92 -28.72 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 13.1 tppt? -85.8 -51.25 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.17 -45.11 83.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 8.8 pt-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.778 0.323 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 73.8 m95 -97.17 130.53 44.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ASP . 57.2 p -118.96 150.74 39.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.3 mt-10 -33.94 -43.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -61.11 -46.67 89.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.528 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.94 -27.55 61.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -80.74 -29.52 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -33.65 27.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -68.76 -39.45 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -47.89 -47.45 31.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -55.21 -31.57 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? -75.83 -43.39 46.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 p -66.12 -46.45 77.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.3 mtp -46.22 -35.07 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -70.25 -42.35 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -67.45 -26.39 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.2 m-85 -133.92 83.04 47.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -173.86 0.79 Allowed 'Trans proline' 0 N--CA 1.466 -0.132 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.53 149.69 43.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.34 -15.1 41.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.45 137.65 86.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 115.81 4.27 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' C ' ' HD2' ' A' ' 36' ' ' LYS . . . 82.66 21.91 59.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -44.25 -72.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.528 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 43.7 m95 -55.08 -34.33 63.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 45' ' ' VAL . 18.6 mt-10 -65.34 -31.24 72.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 7.3 mttm -83.9 -46.0 12.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.557 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -58.64 -37.81 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.638 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.67 -48.46 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.062 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.97 -25.19 66.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -83.22 -50.47 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.1 mt -71.23 -22.48 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.31 22.51 34.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.638 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 87.4 mtt-85 -120.44 -175.2 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.635 ' O ' HG23 ' A' ' 48' ' ' VAL . 39.2 m -94.0 149.77 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 49' ' ' THR . 16.6 t -40.47 -72.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.502 ' HA ' HG23 ' A' ' 49' ' ' THR . 8.4 t -47.96 -40.31 21.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.89 -38.32 67.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 44' ' ' SER . 1.1 t -78.09 -65.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.83 -42.32 17.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -62.97 -27.21 69.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 14.5 tppt? -86.33 -49.17 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.97 92.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.687 ' OE1' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 76.0 m95 -101.35 120.95 41.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.687 HG23 ' OE1' ' A' ' 10' ' ' GLU . 63.7 p -114.32 152.25 31.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.0 mt-10 -33.41 -42.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.79 -47.58 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.557 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.8 m-20 -73.56 -38.1 65.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.39 -35.66 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -78.73 -33.87 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.488 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 2.7 mm-40 -65.17 -38.19 89.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.95 -53.87 50.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -46.77 -30.53 2.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -77.57 -48.54 16.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.456 ' OG ' HG23 ' A' ' 37' ' ' ILE . 57.6 p -61.22 -48.4 81.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 mtp -44.9 -36.92 3.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.02 -41.93 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -68.86 -25.73 64.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.9 m-85 -134.46 82.87 44.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.675 0.75 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -173.45 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.76 149.79 43.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.87 -12.76 51.91 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.518 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.18 137.78 78.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.566 0.698 . . . . 0.0 111.149 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 117.34 5.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.74 22.83 61.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -45.45 -72.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.811 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.484 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 38.7 m95 -55.66 -31.97 62.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -67.46 -31.85 72.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.3 mttm -83.41 -45.06 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.456 HG23 ' OG ' ' A' ' 22' ' ' SER . 96.7 mt -58.43 -42.73 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -61.66 -49.29 77.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -58.94 -21.71 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.813 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -87.96 -45.96 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 57.3 mt -76.57 -18.86 58.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.98 21.19 57.9 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 11.3 mtt-85 -115.57 -175.16 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.4 m -93.56 140.97 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' HG22 ' A' ' 49' ' ' THR . 24.4 t -35.16 -74.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.475 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 4.1 t -46.33 -41.51 13.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -53.21 -43.69 67.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -70.47 -65.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -48.03 -38.45 17.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.9 m -63.18 -28.11 69.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 12.9 tppt? -85.49 -48.08 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.97 94.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -50.4 -54.03 24.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.828 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -52.56 140.28 23.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.98 158.61 24.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -133.8 170.81 15.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -49.4 170.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.08 -124.71 3.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.18 144.13 27.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.584 0.707 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.13 28.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 22.8 pt-20 -73.65 -177.84 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 74.2 m95 -96.66 134.16 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 15' ' ' ASP . 81.5 p -123.71 150.38 44.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 12' ' ' THR . 12.4 mt-10 -32.89 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' THR . 1.0 OUTLIER -64.18 -49.57 71.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.581 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.37 -28.97 62.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD21 ' HZ3' ' A' ' 51' ' ' LYS . 19.1 mt -79.75 -26.77 40.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -86.12 -31.88 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -71.49 -40.34 70.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.3 tp -45.06 -52.1 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -51.56 -36.51 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -69.76 -45.08 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.494 ' OG ' HG23 ' A' ' 37' ' ' ILE . 66.4 p -65.03 -47.34 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.6 mtp -45.52 -35.34 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.68 -41.96 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -68.3 -25.65 65.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.577 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.2 m-85 -134.89 83.03 41.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -167.85 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.371 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.41 149.58 35.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.16 -20.09 18.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.26 137.81 96.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.577 0.703 . . . . 0.0 111.171 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 114.5 3.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.18 24.09 49.27 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -44.52 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.525 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 46.2 m95 -56.23 -32.04 64.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -66.9 -31.15 71.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 7.4 mttm -84.28 -45.75 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.533 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -59.33 -37.2 67.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.626 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.0 -48.56 70.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -60.73 -25.7 66.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -83.61 -50.56 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.4 mt -69.28 -26.4 64.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.9 23.8 24.52 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.626 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 80.0 mtt-85 -123.7 -176.7 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' VAL . 2.1 m -93.31 142.38 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.598 ' O ' HG22 ' A' ' 49' ' ' THR . 18.0 t -33.92 -72.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.456 ' N ' HG12 ' A' ' 45' ' ' VAL . 3.5 t -47.3 -38.55 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -58.43 -38.26 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.533 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -78.1 -66.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.68 -43.98 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.2 m -59.81 -27.52 66.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' HZ3' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -86.41 -48.13 8.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.34 94.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.3 -38.41 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.473 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 36.5 mt-30 -66.26 -34.57 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' O ' HG13 ' A' ' 59' ' ' VAL . 29.7 mt -72.29 -37.38 69.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -72.86 -28.13 62.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -72.61 -51.65 18.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 m -92.6 86.33 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 55' ' ' LEU . 13.9 m -131.31 173.05 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 p -119.72 100.32 7.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.9 p -150.6 161.85 41.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.1 m -41.98 142.94 1.06 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -15.65 37.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.256 . . . . 0.0 112.312 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.13 82.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.5 ttp -56.79 87.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 67' ' ' SER . 4.0 p -110.01 155.34 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.464 ' N ' HG22 ' A' ' 66' ' ' VAL . 38.1 m -85.38 -46.61 10.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.99 146.96 11.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -31.24 20.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -156.36 128.09 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.8 m -78.29 -57.66 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.472 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m 58.8 37.32 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -98.48 -51.04 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.53 149.98 21.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -150.56 158.19 43.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.871 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -111.62 -44.48 3.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.33 -117.48 4.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.09 144.52 18.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 111.056 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 152.02 69.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.9 pt-20 -59.68 -177.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.59 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 76.0 m95 -99.75 120.25 39.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 15' ' ' ASP . 44.3 p -115.89 154.1 30.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.1 mt-10 -33.96 -42.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -60.76 -46.91 88.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.535 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.4 m-20 -73.79 -28.89 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.96 -30.42 44.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.3 -34.27 32.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -67.17 -37.19 83.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.7 tp -53.68 -58.0 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 m -44.11 -39.57 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -68.49 -50.07 55.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' LYS . 2.9 p -59.22 -50.51 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.0 mtp -42.24 -34.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.4 t -70.1 -40.29 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' SER . 46.0 tttm -69.58 -24.85 63.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.0 m-85 -135.03 82.5 42.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -176.89 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.6 148.39 46.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.32 -15.33 45.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -69.52 137.55 88.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.58 0.705 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 112.59 3.12 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.73 2.287 . . . . 0.0 112.295 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.26 26.95 34.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -48.78 -71.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.49 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 34.9 m95 -57.71 -27.2 62.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.52 -33.62 69.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.584 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.0 mttm -82.57 -45.01 15.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.615 HG22 HG11 ' A' ' 48' ' ' VAL . 85.1 mt -57.53 -41.78 79.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -62.62 -50.09 72.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 3.9 t60 -58.56 -21.37 52.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -88.92 -45.65 9.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.2 mt -76.03 -14.4 60.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.62 20.66 65.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.488 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.56 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 8.3 mtt-85 -118.56 -175.09 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.748 ' O ' HG23 ' A' ' 48' ' ' VAL . 26.5 m -91.86 152.7 19.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.523 ' O ' HG22 ' A' ' 49' ' ' THR . 16.2 t -44.5 -69.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.427 ' HA ' HG23 ' A' ' 49' ' ' THR . 3.1 t -50.57 -41.19 54.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -54.16 -37.75 64.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 44' ' ' SER . 1.3 t -75.52 -67.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -47.34 -44.39 23.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -57.49 -27.24 62.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.59 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.3 tppt? -85.54 -47.61 9.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -45.71 93.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.1 -34.41 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 53' ' ' LYS . 75.4 mt-30 -69.46 -36.99 77.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.3 mt -68.74 -27.28 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -78.45 -24.88 45.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 58' ' ' SER . 0.2 OUTLIER -82.88 -53.24 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.514 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 7.9 t -59.44 97.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -141.55 123.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 76.6 p -127.26 107.15 9.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.2 t -117.87 81.65 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.1 t -155.25 139.53 11.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.881 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.88 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.256 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.19 142.03 32.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.4 ttm -98.44 102.65 14.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.0 t -88.44 117.72 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 t -63.18 175.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.02 158.86 29.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 110.72 2.63 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.671 2.247 . . . . 0.0 112.292 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.9 p -102.14 -50.68 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.3 p -91.71 125.53 36.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -78.95 134.24 36.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -84.59 -48.5 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.0 -178.74 16.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 p -83.82 172.08 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -96.12 96.34 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.7 -109.66 3.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.79 145.32 6.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.587 0.708 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.36 16.74 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.384 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 18.1 pt-20 -71.15 -177.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 73.5 m95 -97.04 134.09 40.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.3 p -123.02 150.65 42.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.167 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.2 mt-10 -33.74 -37.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' THR . 3.8 tp10 -64.31 -48.39 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.574 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -74.35 -28.26 61.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.32 -29.69 38.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 m -83.65 -31.72 26.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -73.12 -39.14 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' CD1' HD11 ' A' ' 41' ' ' LEU . 43.7 tp -44.52 -49.98 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 m -56.33 -34.65 66.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -70.39 -44.08 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 p -68.41 -43.3 77.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.3 mtt -48.63 -32.45 8.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.7 t -73.11 -42.53 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -66.41 -24.93 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.1 m-85 -135.02 82.85 41.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -174.34 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.76 150.36 46.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.14 -16.87 31.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.22 137.23 89.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.689 . . . . 0.0 111.124 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 115.91 4.31 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 22.22 57.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -44.15 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.753 ' HB3' HG13 ' A' ' 45' ' ' VAL . 39.6 m95 -55.69 -32.8 63.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 45' ' ' VAL . 18.8 mt-10 -66.66 -30.87 71.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.4 mttm -84.27 -45.33 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.481 HG22 HG11 ' A' ' 48' ' ' VAL . 96.6 mt -59.56 -38.2 74.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.701 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.56 -49.53 70.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -59.11 -30.28 68.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.9 -50.86 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.408 HD11 ' CD1' ' A' ' 19' ' ' LEU . 42.3 mt -69.9 -23.46 63.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.16 20.39 42.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.701 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 86.0 mtt-85 -119.85 -177.71 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' VAL . 14.7 m -92.07 145.91 24.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.753 HG13 ' HB3' ' A' ' 34' ' ' TRP . 93.7 t -38.74 -73.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.458 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 2.8 t -43.2 -44.65 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -53.29 -43.09 67.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -72.77 -66.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -45.93 -43.55 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.2 m -61.07 -28.53 69.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -84.33 -49.41 8.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -46.42 89.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.41 -28.71 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' CG ' ' HD2' ' A' ' 53' ' ' LYS . 21.6 mt-30 -77.65 -30.72 52.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.7 mt -82.59 -46.7 12.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -50.03 -33.26 17.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.04 -44.7 14.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 t -84.32 85.79 7.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.6 m -128.94 171.1 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 t -123.17 -20.57 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 t 55.91 48.84 17.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.6 p -94.35 145.91 30.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -11.57 31.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 164.78 -142.09 7.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 ptm -64.99 118.11 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.2 p -67.13 141.77 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.5 p -49.77 -47.03 51.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.32 143.25 3.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -45.22 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.8 t -66.15 144.25 56.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 93.6 p -58.93 175.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -85.85 127.22 34.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -91.7 138.86 31.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.96 132.77 9.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -66.56 97.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.84 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -117.73 137.11 52.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.821 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.93 113.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.76 141.42 36.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -178.5 2.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -82.74 -177.75 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 75.1 m95 -100.62 119.63 38.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' ASP . 35.1 p -116.64 154.69 30.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 12' ' ' THR . 8.1 mt-10 -32.97 -44.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -57.97 -50.3 73.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.586 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.6 m-20 -70.63 -30.47 67.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.1 mt -78.02 -27.49 48.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.73 -33.46 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 2.9 mm-40 -67.13 -40.86 86.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 tp -50.45 -48.47 56.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.9 m -54.15 -25.93 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -82.58 -45.4 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 p -65.27 -46.3 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.6 mtp -46.86 -35.55 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.2 -41.2 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -68.91 -25.79 64.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.9 m-85 -135.03 83.35 40.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.656 0.741 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -170.57 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.17 150.88 41.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.86 -15.98 34.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.21 138.0 84.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.091 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.26 4.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.62 24.88 52.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -46.77 -72.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 50.0 m95 -57.25 -28.85 63.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -69.21 -33.26 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.586 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.6 mttm -83.15 -43.07 16.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.534 HG22 HG11 ' A' ' 48' ' ' VAL . 95.4 mt -61.67 -37.68 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.92 -47.55 74.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -60.82 -22.46 64.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -85.11 -51.71 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 61.7 mt -71.16 -13.05 61.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.57 21.55 66.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.478 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 5.0 mtt-85 -117.06 -174.27 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 45' ' ' VAL . 3.5 m -97.58 143.33 28.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.557 ' O ' HG22 ' A' ' 49' ' ' THR . 69.7 t -33.3 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.472 ' HA ' HG23 ' A' ' 49' ' ' THR . 4.0 t -45.0 -41.99 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -53.64 -42.32 67.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.534 HG11 HG22 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -74.57 -67.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.49 -45.68 18.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 46' ' ' THR . 70.4 m -57.48 -27.67 62.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.555 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.0 tppt? -85.3 -52.02 6.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.59 80.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.16 -33.72 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.443 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 76.6 mt-30 -70.62 -37.17 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.26 -33.38 71.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -72.17 -34.17 68.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 58' ' ' SER . 0.2 OUTLIER -70.18 -46.79 63.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 58.3 m -71.76 80.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.0 m -147.48 167.07 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.7 p -114.13 37.58 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.1 t -79.98 141.84 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.3 p -156.36 150.82 20.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.665 0.745 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -18.36 37.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.1 -161.04 30.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 41.8 ttp -87.77 108.92 19.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.8 m -106.26 151.51 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -98.25 146.53 25.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -129.15 158.6 22.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -3.42 11.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.354 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.6 t -61.32 104.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -168.96 123.36 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -137.68 165.98 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.2 p -165.17 105.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.7 154.82 17.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -120.79 -55.03 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -90.97 85.95 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.11 56.45 0.43 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.27 143.5 6.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.566 0.698 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 169.26 19.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.252 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 16.3 pt-20 -72.59 -177.86 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.54 ' CG ' ' HE3' ' A' ' 51' ' ' LYS . 70.8 m95 -95.93 133.17 40.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASP . 67.0 p -120.73 150.24 41.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' THR . 8.1 mt-10 -33.29 -45.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.93 -47.09 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.539 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.57 -29.03 62.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.0 mt -79.84 -27.07 40.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.32 -33.32 22.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.485 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.6 mm-40 -67.69 -42.42 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.8 tp -47.02 -51.92 16.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.6 m -50.06 -37.25 32.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -72.5 -46.15 56.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.6 p -60.91 -50.44 73.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.3 mtp -42.24 -36.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.67 -42.01 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -68.41 -26.59 65.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.0 m-85 -134.98 83.77 39.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.663 0.744 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -169.79 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.749 2.3 . . . . 0.0 112.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.07 149.52 37.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.39 -13.72 49.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.4 137.76 81.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.603 0.716 . . . . 0.0 111.142 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.37 5.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.55 23.64 57.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -45.92 -72.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 42.4 m95 -56.65 -31.18 64.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.49 -32.67 73.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.583 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.5 mttm -83.16 -45.37 14.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.563 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -59.18 -37.85 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.621 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.93 -47.5 74.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 7.0 t60 -60.92 -26.61 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -82.36 -50.08 9.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 62.4 mt -70.54 -25.03 62.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.83 13.93 55.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.439 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.621 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 83.4 mtt-85 -112.32 -177.73 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.722 ' O ' HG23 ' A' ' 48' ' ' VAL . 21.6 m -89.9 153.44 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.579 ' O ' HG22 ' A' ' 49' ' ' THR . 48.1 t -44.57 -71.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.459 ' HA ' HG23 ' A' ' 49' ' ' THR . 4.8 t -47.51 -42.12 22.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -53.73 -41.45 67.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 44' ' ' SER . 1.2 t -73.67 -66.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.8 -45.2 19.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.7 m -58.62 -27.07 64.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 12.1 tppt? -86.11 -48.77 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -59.4 -43.87 92.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -50.16 -32.1 15.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -72.32 -33.28 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 52' ' ' ALA . 14.4 mt -73.24 -33.14 65.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -68.81 -47.46 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 58' ' ' SER . 2.2 m-20 -62.03 -48.99 77.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 57' ' ' ASP . 33.9 t -35.86 -43.12 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -111.06 154.4 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.2 p -121.07 100.96 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.1 m -127.25 90.23 3.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.1 p -151.32 144.15 16.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 144.94 55.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.92 -72.06 1.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 51.1 ttm -148.14 148.28 30.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.3 p -93.65 -38.06 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 97.9 p -97.76 153.98 17.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.1 -93.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 90.89 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.4 m -68.99 102.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.3 p -102.97 101.13 11.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -121.11 145.71 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -62.59 -50.79 69.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.47 154.58 11.91 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -68.24 81.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 p -43.2 -41.39 3.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.35 -94.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.44 145.15 2.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.704 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -177.69 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -84.43 -177.73 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 73.8 m95 -97.16 135.25 39.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 81.6 p -123.41 150.01 44.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' THR . 7.1 mt-10 -33.47 -37.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' THR . 10.1 tt0 -65.09 -48.77 72.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.578 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.0 -27.91 61.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -81.06 -28.36 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 m -84.72 -31.77 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.38 -39.37 68.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' HA ' HD11 ' A' ' 41' ' ' LEU . 57.4 tp -45.59 -50.26 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.5 m -54.03 -37.16 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -44.33 73.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.487 ' OG ' HG23 ' A' ' 37' ' ' ILE . 63.3 p -66.28 -45.66 79.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.4 mtp -46.41 -33.52 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -72.86 -43.01 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -66.2 -25.54 66.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 11.7 m-85 -134.96 83.22 40.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.642 0.734 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.15 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.3 151.41 46.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.43 -17.47 24.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.8 138.21 90.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 111.077 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 116.57 4.62 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.73 22.84 59.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -45.11 -72.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.668 ' HB3' HG13 ' A' ' 45' ' ' VAL . 44.1 m95 -56.99 -30.94 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' HA ' HG22 ' A' ' 45' ' ' VAL . 15.8 mt-10 -67.6 -31.65 71.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.5 mttt -84.3 -46.84 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.553 HG22 HG11 ' A' ' 48' ' ' VAL . 96.8 mt -58.03 -36.73 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.657 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.54 -49.55 66.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -60.58 -27.73 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -80.18 -47.75 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 19' ' ' LEU . 61.1 mt -73.63 -17.52 61.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.41 14.93 61.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.657 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 82.0 mtt-85 -116.95 -175.02 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.822 ' O ' HG23 ' A' ' 48' ' ' VAL . 22.4 m -95.31 158.3 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.668 HG13 ' HB3' ' A' ' 34' ' ' TRP . 69.0 t -46.16 -74.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.51 ' HA ' HG23 ' A' ' 49' ' ' THR . 12.4 t -46.35 -39.92 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 46' ' ' THR . 0.6 OUTLIER -56.06 -38.42 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -79.32 -66.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.68 -49.54 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.5 m -57.32 -23.84 51.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.552 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.6 tppt? -88.32 -48.24 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -58.18 -44.19 87.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.36 -33.57 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.464 ' CG ' ' HD2' ' A' ' 53' ' ' LYS . 84.2 mt-30 -72.11 -36.78 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 52' ' ' ALA . 12.1 mt -72.37 -38.77 68.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -62.96 -37.86 88.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.64 -61.55 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.3 t -73.96 97.41 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.8 p -164.6 154.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.1 p -111.09 87.69 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.5 m -146.59 117.38 7.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.9 p -113.53 80.81 4.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.33 30.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.88 117.83 2.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.28 107.69 5.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 67' ' ' SER . 27.3 m -119.73 -41.4 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 66' ' ' VAL . 8.1 t -67.7 88.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.63 -158.47 0.67 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.11 7.96 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.313 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t -78.82 175.82 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -139.16 155.58 47.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m -66.45 140.75 58.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.833 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -47.24 144.61 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.36 -131.99 6.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -156.09 146.04 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m 51.95 39.34 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.48 -86.56 0.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.32 143.88 17.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 165.99 29.06 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.44 -177.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 70.9 m95 -96.19 134.05 39.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' ASP . 64.7 p -121.0 149.32 42.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' THR . 13.1 mt-10 -33.32 -37.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' THR . 19.8 tt0 -64.0 -48.95 74.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.581 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -73.8 -32.9 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.7 mt -74.74 -27.73 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -84.97 -31.44 23.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.06 -37.09 66.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' A' ' 41' ' ' LEU . 59.6 tp -47.0 -59.33 3.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.0 m -45.51 -38.08 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -66.34 -49.18 67.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.426 ' OG ' HG23 ' A' ' 37' ' ' ILE . 53.8 p -62.02 -46.86 87.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.7 mtp -44.84 -36.22 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.92 -42.26 79.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -67.4 -26.14 66.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.9 m-85 -135.06 83.67 39.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.68 0.752 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.58 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.32 150.29 43.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 -21.68 11.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.98 138.04 97.29 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 111.099 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.23 4.0 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.39 23.35 54.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.453 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -43.59 -73.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.534 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 46.0 m95 -56.24 -33.01 65.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' HA ' HG22 ' A' ' 45' ' ' VAL . 22.1 mt-10 -64.89 -32.43 74.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.583 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 10.0 mttm -83.62 -45.3 13.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.517 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -59.64 -37.96 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.625 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.5 -49.45 68.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.057 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 12.2 t-160 -61.37 -24.57 66.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -84.67 -48.06 9.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 19' ' ' LEU . 33.1 mt -72.49 -24.88 61.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.05 23.42 27.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.625 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 79.8 mtt-85 -122.6 -177.73 3.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.531 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.9 m -91.38 143.49 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.58 ' O ' HG22 ' A' ' 49' ' ' THR . 55.3 t -36.0 -72.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.455 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 3.3 t -46.59 -42.58 16.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.71 -41.29 66.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -73.74 -66.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.07 -41.87 17.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.3 m -60.53 -28.26 68.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.528 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 13.0 tppt? -86.15 -49.38 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.62 91.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.53 -33.71 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.47 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 29.0 mt-30 -71.04 -34.17 71.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.8 mt -71.86 -41.56 67.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' O ' HG22 ' A' ' 59' ' ' VAL . 22.9 ttmt -57.44 -44.07 84.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' SER . 2.8 m-20 -65.35 -42.02 93.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.5 t -34.62 -67.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 56' ' ' LYS . 33.5 m -55.08 174.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 60' ' ' THR . 14.8 t -112.3 41.31 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' THR . 49.3 t -37.18 -55.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.2 p -131.27 144.29 52.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 99.81 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.06 66.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 8.5 ttt -174.82 141.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.782 0.325 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 p -124.37 145.03 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 p -138.45 168.44 19.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.74 81.2 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.439 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 176.81 6.25 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.7 2.267 . . . . 0.0 112.349 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.2 t -139.61 131.33 27.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.6 p -167.43 113.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -87.4 96.76 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -72.78 89.6 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.22 -83.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -115.08 122.21 45.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 0.0 110.825 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -90.19 176.23 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.47 -175.61 19.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.28 143.57 26.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.551 0.691 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -177.29 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.698 2.265 . . . . 0.0 112.366 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 7.4 pt-20 -82.64 -177.9 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.592 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 73.0 m95 -98.09 130.96 44.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.0 p -118.84 150.83 39.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.4 mt-10 -34.83 -39.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.81 -46.04 86.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.554 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -75.13 -27.88 59.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 mt -78.77 -35.58 44.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 -34.53 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -66.32 -42.21 88.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.0 tp -46.81 -50.74 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.5 m -53.02 -35.73 59.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -71.66 -45.66 61.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.479 ' OG ' HG23 ' A' ' 37' ' ' ILE . 62.8 p -63.6 -47.59 80.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 mtp -44.32 -36.17 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.8 t -70.09 -42.95 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 tttp -66.28 -25.99 67.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.8 m-85 -135.0 83.6 39.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.12 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.48 150.26 41.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.32 -18.38 23.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.3 137.97 94.12 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.576 0.703 . . . . 0.0 111.127 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 116.09 4.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.703 2.268 . . . . 0.0 112.376 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.33 23.58 56.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -44.33 -73.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.521 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 48.8 m95 -56.6 -32.22 65.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HA ' HG22 ' A' ' 45' ' ' VAL . 20.7 mt-10 -66.35 -31.15 71.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.3 mttm -84.23 -45.81 12.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.521 HG22 HG11 ' A' ' 48' ' ' VAL . 96.1 mt -59.23 -38.08 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.13 -49.06 71.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -61.08 -24.96 66.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -83.11 -50.45 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.93 -23.56 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.12 15.84 55.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.58 ' HD2' ' CH2' ' A' ' 11' ' ' TRP . 84.2 mtt-85 -114.6 -174.81 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 48' ' ' VAL . 42.7 m -92.66 145.2 24.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 49' ' ' THR . 21.4 t -38.93 -72.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.448 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 9.6 t -47.48 -39.15 15.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -56.9 -40.8 76.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -73.83 -65.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -47.94 -43.39 29.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.9 m -60.39 -25.45 65.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.592 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 5.9 tppt? -89.33 -49.53 6.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.73 -36.08 73.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -31.73 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -73.65 -19.82 60.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.4 mt -86.58 -37.62 17.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -66.51 -23.74 66.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -80.03 -61.18 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.2 t -73.06 102.4 3.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.0 t -116.91 136.73 53.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.3 p -124.26 81.84 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.3 t -92.66 -54.54 3.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.0 p -58.85 142.01 84.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.71 0.767 . . . . 0.0 110.829 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 151.3 69.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -42.51 136.71 3.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.421 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -158.06 155.35 29.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.6 p -105.94 132.14 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.405 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 48.3 t -148.6 130.21 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.83 -72.83 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.405 ' HD2' ' C ' ' A' ' 67' ' ' SER . 52.7 Cg_endo -69.85 140.08 41.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.228 . . . . 0.0 112.292 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -107.14 172.55 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.0 p -94.03 130.77 40.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p 42.31 42.44 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.822 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -57.93 99.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.06 58.32 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p -105.43 -40.21 5.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.833 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 t -83.19 -49.21 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.13 -163.11 20.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.01 148.87 37.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.69 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 158.59 56.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.38 -178.09 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.541 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 70.7 m95 -97.25 134.97 39.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASP . 61.2 p -122.03 149.54 43.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.5 mt-10 -33.11 -43.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -59.62 -47.67 84.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.541 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.18 -30.04 63.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -77.8 -29.63 50.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.77 -33.79 27.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 3.8 mm-40 -66.63 -40.31 88.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 tp -49.52 -46.85 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.4 m -56.41 -31.78 64.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -78.78 -43.4 25.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.438 ' OG ' HG23 ' A' ' 37' ' ' ILE . 57.7 p -64.94 -48.55 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.6 mtp -44.47 -35.34 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.4 t -70.84 -42.07 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -67.51 -25.9 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.4 m-85 -135.05 83.68 39.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -170.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.97 150.47 41.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.62 -21.61 10.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.46 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.7 138.0 97.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.573 0.702 . . . . 0.0 111.141 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 24.63 44.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -44.53 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.349 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 41.8 m95 -56.92 -31.72 65.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -66.62 -31.28 71.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.579 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 8.1 mttm -84.31 -45.3 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.498 HG22 HG11 ' A' ' 48' ' ' VAL . 96.3 mt -59.98 -37.35 72.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.576 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.25 -49.37 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.045 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 2.2 t60 -59.8 -28.83 67.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -80.16 -50.28 10.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 50.1 mt -70.35 -24.41 62.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.85 22.92 34.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.576 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 81.1 mtt-85 -120.56 -177.25 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.1 m -91.41 143.7 26.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.529 ' O ' HG22 ' A' ' 49' ' ' THR . 42.1 t -35.97 -74.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.479 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 7.1 t -45.42 -40.51 8.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.95 -43.93 70.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.498 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -71.93 -66.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.97 -41.43 16.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 m -61.67 -28.43 69.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.533 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.9 tppt? -85.81 -46.25 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.15 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.21 -36.24 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 36.7 mt-30 -68.81 -43.72 75.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.82 -42.61 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -49.25 -46.81 46.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -76.69 -42.75 40.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.8 t -40.28 -49.96 2.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.4 m -76.36 170.14 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.5 p -132.66 -45.68 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.6 t 52.21 40.67 29.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -98.91 154.38 37.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -1.43 8.44 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 154.17 171.61 21.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 36.6 mmt -44.46 165.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.1 p -95.03 151.09 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.5 t -104.96 166.91 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.24 -157.86 16.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 148.49 64.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.305 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.0 p -105.91 164.53 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.6 m -55.88 135.28 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -131.01 88.93 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -77.34 163.81 26.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.0 -57.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -121.67 -57.64 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.881 0.372 . . . . 0.0 110.832 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t 40.37 42.76 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.17 -126.8 3.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.28 145.99 7.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -175.49 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.65 -177.86 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 69.3 m95 -96.98 132.47 42.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' ASP . 59.8 p -118.87 150.06 40.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.0 mt-10 -33.8 -42.65 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -60.81 -47.16 87.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.562 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.88 -28.73 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.5 mt -78.7 -30.73 46.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.24 -33.88 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.5 mm-40 -66.94 -41.36 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -47.03 -51.0 18.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.5 m -52.02 -33.49 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -75.39 -45.84 36.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -62.31 -48.58 79.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.1 mtt -44.53 -36.43 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.1 t -68.34 -42.12 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -67.72 -26.34 66.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.2 m-85 -135.05 83.73 38.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.07 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.21 150.04 44.98 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.59 -15.99 38.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.493 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.71 137.81 85.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.551 0.691 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 117.96 5.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.17 22.86 60.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -44.76 -72.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.522 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 33.9 m95 -55.99 -33.07 64.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -65.45 -32.65 74.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.582 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.8 mttm -83.23 -44.83 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.579 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -60.21 -38.0 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.48 -47.48 75.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -62.55 -24.75 67.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -83.48 -50.61 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 53.2 mt -70.2 -20.84 63.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.26 11.12 60.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.613 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 82.1 mtt-85 -111.76 -175.21 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.812 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.3 m -94.11 160.07 14.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 49' ' ' THR . 24.8 t -47.86 -74.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.486 ' HA ' HG23 ' A' ' 49' ' ' THR . 7.9 t -46.6 -39.23 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -55.57 -42.83 75.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 44' ' ' SER . 1.3 t -73.98 -65.3 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -48.15 -47.95 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 46' ' ' THR . 95.9 m -56.64 -27.38 58.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -85.96 -50.6 6.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.89 88.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -50.36 -32.11 16.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.471 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 40.1 mt-30 -75.17 -24.96 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.5 mt -87.37 -38.61 16.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -72.1 -37.07 69.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -74.1 -51.31 16.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -62.26 86.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.0 m -133.37 -177.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.0 p -120.69 86.31 2.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.6 t -134.52 145.19 48.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.7 p -43.8 149.52 0.64 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -22.75 31.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.24 . . . . 0.0 112.374 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.37 135.01 2.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.3 ttm -114.08 114.22 25.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.41 -8.52 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -85.07 165.48 17.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.58 169.43 28.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 89.08 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.3 t 58.48 43.2 19.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.0 p -164.46 149.69 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -94.68 122.73 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.882 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -62.91 -35.65 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.25 85.89 0.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -94.83 43.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -95.22 130.25 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.64 -71.46 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.45 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.85 148.05 1.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.56 0.695 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -170.03 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.238 . . . . 0.0 112.358 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.6 pt-20 -87.55 -177.72 5.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.55 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 74.6 m95 -99.42 134.08 42.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' ASP . 72.9 p -122.11 148.76 44.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.1 mt-10 -32.45 -37.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 12' ' ' THR . 3.2 tp10 -63.56 -51.02 67.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.55 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -71.69 -35.25 70.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 mt -71.09 -26.44 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.9 m -84.2 -31.05 25.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 4.6 mt-30 -71.16 -41.79 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.7 tp -46.56 -47.15 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.6 m -59.22 -31.27 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -77.75 -42.87 32.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 p -66.7 -47.54 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mtp -44.49 -34.68 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.0 t -70.63 -42.38 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -67.45 -26.42 66.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.8 m-85 -134.99 83.79 39.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -174.88 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.258 . . . . 0.0 112.313 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.33 150.71 47.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.71 -18.51 19.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.01 137.45 95.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.541 0.686 . . . . 0.0 111.186 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 111.76 2.9 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.7 21.08 52.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -43.89 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 40.8 m95 -55.41 -32.63 62.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -66.6 -31.43 72.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.5 mttt -84.68 -45.09 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.506 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -60.07 -37.38 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.15 -48.55 70.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -60.57 -26.35 66.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.69 -50.13 9.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 48.6 mt -70.02 -24.56 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.69 17.9 46.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.554 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 75.3 mtt-85 -116.21 -176.01 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.1 m -93.99 144.14 25.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 49' ' ' THR . 16.5 t -35.2 -74.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.519 ' N ' HG12 ' A' ' 45' ' ' VAL . 13.5 t -45.04 -41.8 7.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.45 ' N ' HG23 ' A' ' 46' ' ' THR . 12.4 t0 -53.86 -42.5 68.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.506 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -73.84 -65.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.63 -41.0 14.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 79.8 m -62.49 -28.67 69.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.3 tppt? -85.46 -48.13 9.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.44 92.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.56 -39.01 15.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 36.5 mt-30 -64.84 -37.87 89.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.9 mt -68.65 -44.22 74.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -53.94 -51.58 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.41 -54.88 10.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -73.64 102.46 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.87 166.13 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.9 p -127.08 99.84 5.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.2 t -111.83 -59.06 2.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -90.07 143.69 30.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.907 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.47 131.63 2.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -91.67 160.55 15.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.6 p -67.06 -22.18 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -47.93 142.11 5.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.24 -158.06 8.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.3 p -151.0 -176.35 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -142.38 156.92 45.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 t -129.72 -48.48 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -101.62 104.33 15.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.62 87.36 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m 44.69 43.21 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.823 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -89.86 126.96 35.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -163.33 27.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.6 148.87 65.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.38 6.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.1 pt-20 -83.24 -177.74 6.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.589 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 71.3 m95 -101.16 133.9 45.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 15' ' ' ASP . 70.0 p -120.1 149.09 42.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.3 mt-10 -33.15 -43.17 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -60.45 -48.71 80.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -72.09 -28.34 63.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.2 mt -79.82 -30.12 40.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.1 -33.8 29.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.488 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 5.4 mm100 -67.08 -43.88 81.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 tp -44.57 -46.96 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.0 m -57.95 -32.76 68.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -76.96 -42.17 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.457 ' OG ' HG23 ' A' ' 37' ' ' ILE . 56.3 p -66.78 -46.56 74.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.5 mtt -45.64 -35.81 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.3 t -69.86 -42.96 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -66.4 -26.04 67.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.1 m-85 -134.98 83.6 39.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -171.82 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.64 151.15 44.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.8 -20.79 10.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.51 137.84 97.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.633 0.73 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 112.56 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.88 25.49 37.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -46.31 -72.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.664 ' HB3' HG13 ' A' ' 45' ' ' VAL . 40.8 m95 -57.41 -29.35 64.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -69.05 -32.08 71.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.8 mttt -83.63 -46.09 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.483 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -58.56 -38.58 71.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.649 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.84 -48.83 72.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -59.83 -28.54 67.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -80.75 -51.22 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 54.2 mt -69.14 -24.67 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.22 22.81 31.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.649 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 82.5 mtt-85 -121.81 -176.23 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.533 ' O ' HG23 ' A' ' 48' ' ' VAL . 21.2 m -94.47 145.49 24.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.664 HG13 ' HB3' ' A' ' 34' ' ' TRP . 88.9 t -36.5 -74.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.459 ' HA ' HG23 ' A' ' 49' ' ' THR . 2.6 t -44.66 -42.24 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.35 -42.53 70.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -74.5 -67.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.29 -43.46 15.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.182 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' THR . 77.3 m -61.43 -28.0 68.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.589 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 10.7 tppt? -84.66 -48.59 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.68 -47.33 86.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -33.35 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -71.57 -43.61 66.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.3 -40.05 95.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -52.79 -41.73 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' SER . 22.2 t0 -78.16 -45.95 21.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.827 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' ASP . 42.3 t -35.4 -60.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.6 m -51.89 175.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.7 t -108.23 41.12 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.7 m -129.15 88.88 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.5 p -140.78 143.9 33.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.882 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -175.07 1.04 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.78 175.58 24.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' VAL . 1.3 mpt? -97.91 81.57 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' MET . 32.7 m 34.22 39.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 p -104.7 136.59 43.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.2 151.46 16.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -48.76 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 81.0 p -112.27 114.13 26.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.2 p -84.49 -24.91 29.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -82.33 103.55 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m 52.12 47.92 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.35 116.47 1.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -65.19 -50.54 65.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -92.1 -55.63 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.74 -79.88 1.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.72 142.41 28.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.711 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 172.61 12.34 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.739 2.293 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.523 ' OE1' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER -70.46 -177.84 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 71.9 m95 -97.07 129.33 44.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.523 HG23 ' OE1' ' A' ' 10' ' ' GLU . 71.1 p -117.2 150.63 38.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.8 mt-10 -34.18 -40.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -62.85 -47.11 84.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.567 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.58 -28.48 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -82.0 -27.62 33.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -85.43 -31.97 22.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.04 -45.62 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -41.78 -53.57 3.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.6 m -48.48 -35.38 12.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -74.25 -47.44 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.456 ' OG ' HG23 ' A' ' 37' ' ' ILE . 61.1 p -60.12 -47.78 84.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.6 mtp -44.57 -36.45 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.54 -42.64 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -66.96 -26.5 66.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 8.5 m-85 -134.95 83.93 38.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.719 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -173.28 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.55 151.48 46.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.55 -21.43 8.98 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.493 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.55 138.1 97.27 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.542 0.687 . . . . 0.0 111.17 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.02 2.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.94 25.45 37.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -45.64 -72.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 38.4 m95 -57.01 -30.7 64.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -67.67 -31.99 72.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.3 mttm -83.74 -44.68 14.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.504 HG22 HG11 ' A' ' 48' ' ' VAL . 95.3 mt -60.85 -39.02 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.607 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.26 -47.37 79.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 6.8 t60 -61.28 -28.1 68.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.22 -51.3 8.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.7 mt -68.64 -21.52 64.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.0 19.57 50.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.607 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 83.1 mtt-85 -119.17 -174.83 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.807 ' O ' HG23 ' A' ' 48' ' ' VAL . 75.0 m -93.07 157.93 16.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.641 ' O ' HG22 ' A' ' 49' ' ' THR . 22.9 t -48.92 -74.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 5.5 t -45.61 -39.12 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -47.41 78.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 44' ' ' SER . 1.1 t -68.81 -65.21 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.94 -51.58 16.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -53.64 -23.99 12.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.1 tppt? -89.34 -50.24 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -57.37 -39.84 76.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.092 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -54.76 -39.46 68.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 45.7 mt-30 -65.1 -20.89 66.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 52' ' ' ALA . 41.5 mt -81.97 -32.93 30.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -77.19 -23.72 51.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -77.77 -51.41 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 t -89.45 88.94 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.65 174.42 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 61' ' ' CYS . 8.4 t -108.91 -40.7 4.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.4 ' N ' HG23 ' A' ' 60' ' ' THR . 50.6 t -66.48 99.6 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.8 p -164.26 153.38 11.78 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -0.03 6.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.6 -140.23 14.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -138.08 145.91 42.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.7 t -93.6 104.57 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.4 t -122.86 152.83 40.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.56 83.61 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.28 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t 60.91 39.85 16.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.4 m -134.29 -49.23 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -54.08 -44.28 71.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 t -62.83 158.49 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.31 158.58 27.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -110.84 124.0 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.836 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -86.69 96.66 10.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.92 53.57 0.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.66 143.81 10.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 157.95 58.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 10.6 pt-20 -63.33 -177.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.59 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 79.4 m95 -102.08 120.56 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' ASP . 69.5 p -120.19 155.19 33.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.5 mt-10 -33.75 -36.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' THR . 38.6 tt0 -64.5 -48.99 73.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.59 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.7 m-20 -74.15 -31.66 62.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.72 -26.89 55.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -84.97 -32.76 22.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -69.57 -36.83 76.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.6 tp -53.35 -51.86 61.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 m -50.19 -30.66 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -77.21 -47.42 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 p -62.8 -47.74 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.1 mtp -45.21 -36.01 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.94 -42.2 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -67.78 -26.01 65.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 6.9 m-85 -134.99 83.49 39.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -174.12 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.85 150.48 46.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.34 -20.03 15.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.44 137.89 96.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.577 0.703 . . . . 0.0 111.154 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 113.94 3.53 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.8 23.86 48.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -44.78 -73.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.527 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 45.5 m95 -55.87 -31.85 63.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.89 -31.84 72.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.575 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.1 mttm -83.88 -45.43 13.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.518 HG22 HG11 ' A' ' 48' ' ' VAL . 96.7 mt -59.58 -41.28 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.47 79.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 5.4 t60 -59.98 -24.66 64.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.77 -49.17 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.04 -14.9 61.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.8 18.8 71.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 10' ' ' GLU . 7.4 mtt-85 -112.8 -174.73 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' VAL . 50.1 m -94.58 139.7 30.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.57 ' O ' HG22 ' A' ' 49' ' ' THR . 19.3 t -33.59 -74.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.478 ' N ' HG12 ' A' ' 45' ' ' VAL . 7.4 t -45.89 -40.46 10.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -54.06 -46.62 72.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.518 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -68.86 -66.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.63 -47.58 20.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.2 m -58.2 -25.35 61.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.486 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 3.4 tppt? -87.17 -49.35 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.3 93.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -47.36 -34.22 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.459 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 71.9 mt-30 -70.61 -39.95 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.7 mt -67.0 -36.81 82.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' O ' HG13 ' A' ' 59' ' ' VAL . 13.6 ttpt -60.48 -53.6 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' O ' HG22 ' A' ' 59' ' ' VAL . 13.5 t0 -58.96 -44.07 91.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -61.33 86.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 56' ' ' LYS . 27.5 m -139.76 177.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.4 p -107.55 90.03 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 62' ' ' SER . 52.4 t -156.65 135.83 12.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' CYS . 38.7 m -36.91 123.15 0.81 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.687 0.756 . . . . 0.0 110.834 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 166.42 27.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.75 152.76 19.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 32.2 mtt -103.41 -47.34 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 p -106.13 136.08 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -101.51 96.67 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.99 -157.53 31.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 128.2 15.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.635 2.223 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 m -61.96 130.81 47.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -171.83 157.2 4.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -96.27 -44.3 7.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 0.0 110.896 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -59.45 117.04 4.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.3 -178.62 32.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -130.01 107.04 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.367 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -172.99 121.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.66 135.24 2.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.26 143.93 29.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.08 35.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 23.2 pm0 -67.3 -177.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 72.4 m95 -97.4 134.82 40.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ASP . 73.0 p -122.67 150.34 42.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.2 mt-10 -33.9 -41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.21 -47.16 85.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.552 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.25 -28.81 61.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -78.12 -32.97 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.63 -33.13 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -67.04 -39.46 86.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.5 tp -49.68 -50.59 43.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.1 m -51.79 -33.05 33.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -75.26 -44.74 44.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.3 p -64.36 -47.99 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.3 mtp -44.68 -34.86 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.54 -42.5 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -67.45 -26.01 66.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 7.6 m-85 -134.88 83.39 40.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.74 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -173.67 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.24 150.84 46.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.07 -19.63 16.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.15 138.06 95.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 114.91 3.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.749 2.299 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.57 23.69 52.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -45.06 -72.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.747 ' HB3' HG13 ' A' ' 45' ' ' VAL . 40.9 m95 -56.44 -30.31 62.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.476 ' HA ' HG22 ' A' ' 45' ' ' VAL . 15.5 mt-10 -68.46 -31.75 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 13.0 mttt -83.71 -45.36 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.482 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -59.33 -38.36 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.694 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.95 -48.86 72.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -59.88 -28.54 67.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -80.68 -50.11 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.43 -23.96 62.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.4 19.19 42.57 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.694 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 85.7 mtt-85 -118.92 -177.35 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.528 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.4 m -93.04 142.97 26.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.747 HG13 ' HB3' ' A' ' 34' ' ' TRP . 74.9 t -35.39 -72.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.462 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 4.2 t -44.57 -44.74 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' N ' HG23 ' A' ' 46' ' ' THR . 2.6 t70 -53.29 -40.28 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -75.29 -66.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.07 -43.93 15.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -59.32 -28.68 67.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.574 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 1.4 tppm? -86.66 -49.29 7.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.85 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -49.97 -35.39 24.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.471 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 35.6 mt-30 -69.36 -39.29 78.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.58 -44.08 75.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -52.03 -44.29 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -71.43 -44.88 64.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.8 t -39.68 -51.65 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.3 m -73.49 151.46 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 t -121.48 125.95 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.3 p -161.19 132.07 5.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.5 p -159.81 148.14 13.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.676 0.75 . . . . 0.0 110.89 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -173.37 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.254 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.68 45.29 3.09 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.2 mtm -79.72 88.77 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.5 m -153.49 169.64 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.1 m -93.36 173.6 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.28 -73.59 1.04 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 131.34 21.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.1 m -88.05 157.95 18.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -54.19 168.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.512 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -82.89 113.19 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -117.93 82.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.24 41.99 84.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 p -118.82 126.34 51.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -84.09 49.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.39 145.19 4.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -165.66 143.93 4.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.58 33.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 11.0 pt-20 -70.21 -177.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.587 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 72.4 m95 -96.08 133.19 40.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 15' ' ' ASP . 73.9 p -122.24 150.54 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 12' ' ' THR . 6.3 mt-10 -33.61 -37.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' THR . 25.8 tt0 -63.99 -48.42 76.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.587 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -74.4 -31.0 62.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.14 -26.88 48.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -85.32 -32.12 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.475 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 3.5 mm-40 -69.3 -42.74 75.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.2 tp -46.61 -49.9 18.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.5 m -55.16 -30.81 60.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -79.87 -42.97 23.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.8 p -65.05 -48.32 74.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.1 mtp -43.78 -36.1 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.1 t -69.17 -42.5 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -67.59 -26.12 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 6.4 m-85 -134.98 83.57 39.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.716 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -170.62 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.15 152.0 44.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.01 -23.52 5.91 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.56 137.92 92.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 111.14 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 110.14 2.46 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.91 27.34 29.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -46.15 -72.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.525 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 45.1 m95 -57.03 -30.25 64.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HA ' HG22 ' A' ' 45' ' ' VAL . 16.7 mt-10 -67.51 -33.36 74.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 10.3 mttm -82.03 -45.41 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.494 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -58.99 -38.95 76.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.28 -47.23 80.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -60.79 -28.77 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -81.19 -51.49 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 69.4 mt -67.75 -27.0 66.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.3 20.37 35.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.556 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 79.4 mtt-85 -118.23 -176.13 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.487 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.3 m -92.14 143.65 26.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.556 ' O ' HG22 ' A' ' 49' ' ' THR . 41.9 t -36.12 -73.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.447 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 2.8 t -48.87 -35.73 15.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -58.98 -39.0 80.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.494 HG11 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.8 -65.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.8 -43.1 27.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.7 m -62.08 -25.0 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.556 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 11.9 tppt? -86.77 -42.69 13.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.709 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -64.01 -45.46 88.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.19 -33.09 7.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.456 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 36.9 mt-30 -70.62 -40.09 73.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 52' ' ' ALA . 13.1 mt -60.64 -41.02 94.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -46.67 -44.32 18.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -71.23 -52.64 17.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.3 t -45.88 -62.18 1.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 55' ' ' LEU . 35.6 m -54.9 176.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.9 p -108.43 85.21 2.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.4 m -112.42 -55.2 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.0 p -125.99 78.62 69.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 158.54 56.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.8 -138.85 10.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 mmt -104.64 129.03 52.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.2 m -108.81 40.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.7 t -70.98 -43.71 67.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.42 -151.85 42.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -173.27 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.334 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -150.54 123.32 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -91.58 122.93 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -156.39 127.6 7.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -89.6 135.62 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.72 143.01 34.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.455 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -105.83 -49.16 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -109.58 -41.91 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.62 135.72 12.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.96 148.88 98.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.45 65.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 13.8 pt-20 -73.73 -177.88 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CH2' ' HD2' ' A' ' 43' ' ' ARG . 71.5 m95 -100.65 132.33 46.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' ASP . 65.1 p -120.75 150.7 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' THR . 7.4 mt-10 -34.33 -44.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -59.06 -45.14 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.515 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.7 OUTLIER -74.95 -30.54 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 mt -78.76 -27.17 44.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.91 -33.0 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.482 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.0 mm100 -69.04 -40.64 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 tp -47.34 -59.44 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.8 m -46.32 -35.02 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -75.02 -46.13 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.7 p -61.45 -46.0 91.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.8 mtp -45.3 -35.58 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.84 -41.98 79.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -67.52 -26.02 66.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.7 m-85 -135.01 83.47 39.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -174.62 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.72 150.96 47.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.12 -19.61 16.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.06 138.08 96.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 111.175 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 113.27 3.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.84 26.55 37.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -47.69 -72.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.329 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.522 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 34.1 m95 -58.29 -27.09 63.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -70.8 -32.91 70.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.583 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 12.9 mttt -83.41 -44.94 14.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.488 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -59.26 -37.07 66.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -66.28 -49.33 67.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.456 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 3.5 t60 -59.68 -27.83 66.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.56 -49.95 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 82.8 mt -71.53 -22.1 61.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.98 19.62 50.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.598 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 69.3 mtt-85 -117.68 -174.98 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.353 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.786 ' O ' HG23 ' A' ' 48' ' ' VAL . 13.4 m -91.39 156.85 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 49' ' ' THR . 24.4 t -50.23 -74.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.471 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 8.8 t -46.93 -36.47 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -43.99 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -71.01 -65.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.42 -41.82 20.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.9 m -62.93 -26.68 68.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 15.6 tppt? -87.17 -45.78 10.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -62.0 -41.29 97.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -53.29 -34.15 56.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.42 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 61.4 mt-30 -70.79 -22.93 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 52' ' ' ALA . 20.0 mt -83.21 -36.96 24.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -71.64 -23.4 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -82.47 -50.81 8.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 m -62.55 103.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.5 t -149.0 137.55 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 60' ' ' THR . 5.3 t -124.44 111.86 16.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.26 156.13 42.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.1 t -70.47 140.86 87.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.72 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -175.32 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.92 130.7 1.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 1.6 tpt -97.55 113.24 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -75.99 -38.3 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -87.19 153.89 21.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.78 84.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 -12.5 33.05 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.28 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.5 t -120.39 74.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.3 p -61.06 118.19 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 m -111.31 167.73 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -98.91 113.75 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.53 174.17 39.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -153.16 140.93 20.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.39 . . . . 0.0 110.81 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -43.26 -52.93 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.22 -161.7 27.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.78 144.2 93.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 161.94 43.98 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -69.24 -177.9 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.576 ' CH2' ' HD2' ' A' ' 43' ' ' ARG . 71.7 m95 -97.76 131.76 43.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' ASP . 72.3 p -119.47 150.12 40.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.2 mt-10 -33.76 -42.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -60.89 -46.86 88.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.544 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.79 -29.21 62.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.64 -30.64 46.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.71 -33.86 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -69.33 -39.66 78.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HA ' HD11 ' A' ' 41' ' ' LEU . 55.0 tp -45.09 -55.23 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.0 m -50.09 -40.52 45.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -64.62 -46.11 84.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.439 ' OG ' HG23 ' A' ' 37' ' ' ILE . 37.3 p -65.04 -45.8 83.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.1 mtp -45.62 -34.79 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.81 -42.86 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -66.02 -25.41 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 10.1 m-85 -135.0 83.21 40.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.667 0.746 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -171.58 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.88 150.99 43.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.64 -18.7 18.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.97 137.59 94.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.591 0.71 . . . . 0.0 111.176 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 115.49 4.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.02 24.29 52.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -44.78 -73.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.523 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 37.9 m95 -57.07 -31.37 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.32 -30.82 70.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 6.8 mttm -84.36 -45.09 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.498 HG22 HG11 ' A' ' 48' ' ' VAL . 96.6 mt -60.14 -37.88 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.647 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -64.89 -49.37 70.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.092 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.99 -29.78 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.02 -50.55 10.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD11 ' HA ' ' A' ' 19' ' ' LEU . 39.0 mt -69.78 -23.26 63.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.86 15.6 53.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.647 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 85.7 mtt-85 -116.02 -176.34 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.796 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.9 m -91.59 159.21 16.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.577 ' O ' HG22 ' A' ' 49' ' ' THR . 45.1 t -48.09 -74.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.494 ' HA ' HG23 ' A' ' 49' ' ' THR . 11.3 t -46.64 -40.24 12.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 46' ' ' THR . 4.4 m-20 -53.94 -40.27 66.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -77.68 -67.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.29 -46.4 17.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 46' ' ' THR . 97.4 m -57.92 -28.72 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.184 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 13.1 tppt? -85.8 -51.25 6.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 55' ' ' LEU . . . -57.17 -45.11 83.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -32.81 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -71.77 -33.51 68.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 52' ' ' ALA . 11.5 mt -73.79 -38.36 64.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -65.79 -42.03 91.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 59' ' ' VAL . 1.0 OUTLIER -69.46 -60.04 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 m -60.42 103.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 57' ' ' ASP . 23.6 t -129.81 138.41 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.6 p -120.62 107.38 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.3 m -154.15 131.74 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 93.7 p -72.97 144.4 85.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.712 0.768 . . . . 0.0 110.806 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 64' ' ' GLY . 53.8 Cg_endo -69.79 159.13 54.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 63' ' ' PRO . . . 35.09 -149.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 45.0 mtm -119.42 139.38 52.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.309 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 66' ' ' VAL . 33.8 m -91.23 125.28 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.6 m -130.93 -53.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 143.07 83.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 143.24 50.36 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -106.29 94.44 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -148.6 165.68 30.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -133.42 118.89 18.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -120.64 120.38 35.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.0 -129.14 5.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -71.18 91.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -150.52 155.31 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.4 -124.8 0.73 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.44 142.05 91.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.708 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -177.2 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 8.8 pt-20 -80.14 -177.89 6.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.581 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 73.8 m95 -97.17 130.53 44.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' ASP . 57.2 p -118.96 150.74 39.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.3 mt-10 -33.94 -43.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -61.11 -46.67 89.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.528 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -73.94 -27.55 61.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -80.74 -29.52 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -33.65 27.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -68.76 -39.45 80.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.6 tp -47.89 -47.45 31.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -55.21 -31.57 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? -75.83 -43.39 46.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 p -66.12 -46.45 77.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.3 mtp -46.22 -35.07 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.6 t -70.25 -42.35 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -67.45 -26.39 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.2 m-85 -133.92 83.04 47.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -173.86 0.79 Allowed 'Trans proline' 0 N--CA 1.466 -0.132 0 C-N-CA 122.707 2.271 . . . . 0.0 112.333 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.53 149.69 43.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.34 -15.1 41.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.45 137.65 86.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 115.81 4.27 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' C ' ' HD2' ' A' ' 36' ' ' LYS . . . 82.66 21.91 59.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -44.25 -72.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.528 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 43.7 m95 -55.08 -34.33 63.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 45' ' ' VAL . 18.6 mt-10 -65.34 -31.24 72.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 7.3 mttm -83.9 -46.0 12.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.557 HG22 HG11 ' A' ' 48' ' ' VAL . 96.5 mt -58.64 -37.81 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.638 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -65.67 -48.46 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.062 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.97 -25.19 66.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -83.22 -50.47 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.1 mt -71.23 -22.48 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.31 22.51 34.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.638 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 87.4 mtt-85 -120.44 -175.2 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.635 ' O ' HG23 ' A' ' 48' ' ' VAL . 39.2 m -94.0 149.77 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 49' ' ' THR . 16.6 t -40.47 -72.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.502 ' HA ' HG23 ' A' ' 49' ' ' THR . 8.4 t -47.96 -40.31 21.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.89 -38.32 67.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 44' ' ' SER . 1.1 t -78.09 -65.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -46.83 -42.32 17.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.2 m -62.97 -27.21 69.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 11' ' ' TRP . 14.5 tppt? -86.33 -49.17 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.97 92.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -31.47 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -73.28 -34.51 65.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.9 mt -73.62 -33.62 64.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -72.25 -32.77 66.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 58' ' ' SER . 0.2 OUTLIER -69.2 -44.79 71.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 15.4 t -48.18 -54.25 14.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.6 m -80.89 170.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.76 -51.11 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.2 t 57.58 51.79 9.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.7 p -51.71 145.86 15.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -33.84 15.77 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.07 114.55 1.59 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.3 tpp -44.74 125.4 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.2 t -73.0 85.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -155.72 165.42 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.83 -81.22 1.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 2.227 . . . . 0.0 112.342 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.8 p -160.02 157.61 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 t -59.74 163.49 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -96.54 112.3 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 110.848 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -168.36 173.61 7.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.84 178.31 1.0 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -104.12 107.88 18.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.821 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -145.85 137.21 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.15 -98.02 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.13 143.41 1.03 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.599 0.714 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.79 48.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.315 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.687 ' OE1' HG23 ' A' ' 12' ' ' THR . 0.0 OUTLIER -51.59 -177.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 15' ' ' ASP . 76.0 m95 -101.35 120.95 41.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.687 HG23 ' OE1' ' A' ' 10' ' ' GLU . 63.7 p -114.32 152.25 31.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' THR . 5.0 mt-10 -33.41 -42.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.79 -47.58 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.557 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.8 m-20 -73.56 -38.1 65.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.39 -35.66 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -78.73 -33.87 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.488 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 2.7 mm-40 -65.17 -38.19 89.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.95 -53.87 50.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -46.77 -30.53 2.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -77.57 -48.54 16.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.456 ' OG ' HG23 ' A' ' 37' ' ' ILE . 57.6 p -61.22 -48.4 81.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 mtp -44.9 -36.92 3.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.02 -41.93 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -68.86 -25.73 64.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 9.9 m-85 -134.46 82.87 44.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.675 0.75 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -173.45 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.76 149.79 43.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.87 -12.76 51.91 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.518 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.18 137.78 78.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.566 0.698 . . . . 0.0 111.149 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 117.34 5.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.74 22.83 61.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -45.45 -72.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.811 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.484 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 38.7 m95 -55.66 -31.97 62.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -67.46 -31.85 72.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 9.3 mttm -83.41 -45.06 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.456 HG23 ' OG ' ' A' ' 22' ' ' SER . 96.7 mt -58.43 -42.73 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 43' ' ' ARG . . . -61.66 -49.29 77.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -58.94 -21.71 58.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.813 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -87.96 -45.96 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 18' ' ' GLN . 57.3 mt -76.57 -18.86 58.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.98 21.19 57.9 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.508 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 11.3 mtt-85 -115.57 -175.16 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.4 m -93.56 140.97 29.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' HG22 ' A' ' 49' ' ' THR . 24.4 t -35.16 -74.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.475 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 4.1 t -46.33 -41.51 13.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -53.21 -43.69 67.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -70.47 -65.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -48.03 -38.45 17.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.9 m -63.18 -28.11 69.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 12.9 tppt? -85.49 -48.08 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.97 94.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -48.55 -35.28 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.472 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 46.2 mt-30 -70.6 -28.27 64.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.7 mt -84.39 -39.12 19.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -77.89 -36.74 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' N ' ' HD2' ' A' ' 56' ' ' LYS . 17.8 t0 -75.18 -47.94 25.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.0 t -80.01 84.29 5.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.7 m -100.6 173.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.53 84.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.1 m -112.37 143.59 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.9 t -112.17 79.37 2.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.692 0.758 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 102.88 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.87 100.5 2.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 ttt -78.37 -45.74 21.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 p -136.55 141.59 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.6 p -81.99 118.77 23.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.2 -68.11 1.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 123.86 10.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.236 . . . . 0.0 112.323 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.1 m -128.63 162.65 26.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.3 m -116.54 -56.69 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.959 . . . . . . . . 0 0 . 1 stop_ save_