data_2d8v_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 2d8v _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 ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.111 0 CA-C-O 120.775 0.24 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.541 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -109.08 176.06 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.414 ' N ' ' HB3' ' A' ' 18' ' ' ALA . 38.3 t -45.3 128.79 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.6 t -67.51 -2.25 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 mm -102.26 -65.38 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 p -93.12 -30.06 15.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.541 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 6.9 m120 69.18 35.58 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 10.7 pt-20 -100.56 -52.36 3.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.48 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 21.0 t0 -165.31 107.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.427 ' HB3' ' C ' ' A' ' 10' ' ' TRP . . . -84.09 127.52 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.412 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 12.2 t -120.38 7.6 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 19' ' ' THR . 5.8 mt -148.39 154.66 40.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -132.45 108.23 9.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 t -77.84 124.11 27.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.08 -33.91 44.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.64 -20.29 78.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 m -101.04 26.87 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.8 t70 69.99 42.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.07 33.11 84.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.2 118.28 12.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.489 HD22 ' CG ' ' A' ' 52' ' ' TYR . 20.6 mt -74.01 123.1 23.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -122.77 172.6 8.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -103.09 -172.47 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.26 -8.16 58.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.23 -78.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.9 m -40.51 -37.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CZ ' HG21 ' A' ' 49' ' ' THR . 68.9 t80 -65.78 -64.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -57.98 -11.57 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -77.88 -51.15 10.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' A' ' 40' ' ' ASP . . . -109.29 -36.84 2.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.463 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 34.1 m80 -78.38 40.23 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 38' ' ' GLY . 6.3 t0 -134.92 5.53 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.61 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -133.93 -44.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.61 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 5.3 t80 -52.73 -172.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.85 39.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -49.8 -19.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -42.22 -23.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' GLN . 49.6 mm-40 -107.5 -37.28 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -58.61 78.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' GLU . 45.3 mm-40 -74.49 111.25 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.563 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 1.7 p -92.69 165.78 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.1 m -140.9 153.3 67.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.713 0.768 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 81.18 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.748 2.298 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CG ' HD22 ' A' ' 29' ' ' LEU . 75.0 t80 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.791 0.246 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.443 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -126.99 177.27 6.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ASN . 37.8 t -55.4 124.75 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.5 t -65.12 -2.74 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mm -99.86 -62.08 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 p -97.48 -24.93 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' CYS . 1.8 m-80 65.07 35.04 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -98.97 -63.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -159.15 105.11 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB2' ' C ' ' A' ' 10' ' ' TRP . . . -77.92 130.03 36.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -121.37 7.86 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mt -149.81 152.2 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -128.9 105.94 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 t -77.29 124.58 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.65 49.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.2 -20.97 71.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.9 m -102.39 32.31 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 63.27 45.77 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.5 34.17 79.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.403 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 18.9 m-20 -69.29 116.61 9.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.6 mt -72.4 117.22 13.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 28' ' ' ASP . 49.9 m-85 -118.22 171.2 8.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.9 p -101.83 -173.0 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.76 -7.82 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.67 -78.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.476 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 56.2 m -40.8 -37.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CZ ' HG21 ' A' ' 49' ' ' THR . 65.2 t80 -65.35 -61.51 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 49.0 mmm-85 -58.45 -21.1 50.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -72.28 -53.14 13.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.8 -44.1 1.99 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' PHE . 48.6 m80 -78.08 41.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' N ' HD22 ' A' ' 44' ' ' LEU . 30.5 t70 -133.83 7.1 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.571 ' ND2' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -134.95 -48.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 41' ' ' ASN . 7.2 t80 -50.44 -176.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -75.3 46.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -55.1 -15.44 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -45.4 -25.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLN . 50.2 mt-10 -104.9 -35.19 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -59.28 77.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.7 mm-40 -70.74 116.68 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.544 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 1.4 p -102.53 165.21 11.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.2 m -140.14 152.81 68.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.695 0.76 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 85.38 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.9 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.784 0.243 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.564 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -102.29 175.68 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.9 t -44.32 128.66 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.93 -0.6 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.6 mm -103.35 -62.29 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 p -96.88 -30.5 13.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.564 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 4.5 m120 69.88 38.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 15.6 pt-20 -102.94 -50.23 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.482 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 5.9 m-20 -167.78 107.69 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -81.69 128.8 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 p -119.8 -2.62 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -141.31 154.82 45.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.4 ttt85 -130.11 105.71 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.5 t -75.15 126.66 31.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.42 -37.96 31.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.14 -20.19 72.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 m -100.99 26.06 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.2 t0 68.21 45.82 1.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.72 35.28 89.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -70.88 117.56 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 30.6 mt -73.4 119.3 17.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -119.56 169.86 9.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.9 p -100.31 -172.53 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.25 -4.74 59.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.539 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.54 -78.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.539 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 60.4 m -39.42 -38.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 49' ' ' THR . 64.4 t80 -66.22 -59.23 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -62.09 -13.59 28.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -84.29 -47.4 10.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.65 -42.1 1.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' PHE . 44.9 m80 -79.59 42.49 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' N ' HD22 ' A' ' 44' ' ' LEU . 6.1 t70 -132.31 1.12 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.561 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.6 -41.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.561 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 7.2 t80 -51.91 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.57 45.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.447 HD22 ' C ' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -59.46 -18.62 41.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.18 -21.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' GLN . 13.9 mm-40 -111.65 -36.87 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -55.27 86.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' GLU . 62.9 mm-40 -79.75 114.48 18.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.555 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 1.5 p -97.62 171.67 8.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.7 m -148.5 155.27 42.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.6 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.829 0.262 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.494 ' NE1' ' OD1' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -104.91 -179.85 4.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.493 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 49.6 t -54.22 133.51 44.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.47 3.94 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -109.52 -62.25 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 p -95.24 -27.2 15.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.494 ' OD1' ' NE1' ' A' ' 10' ' ' TRP . 2.2 m-80 64.2 39.52 7.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 24.6 pt-20 -103.98 -52.65 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 1.2 p30 -168.74 105.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -76.84 129.08 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.6 p -117.68 0.24 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mt -145.08 152.25 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -127.99 108.95 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.1 t -77.77 126.71 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.76 -37.31 30.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.36 -20.2 75.04 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 m -101.08 27.75 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.53 48.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.28 32.64 68.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.97 122.64 18.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 58.4 mt -79.99 115.74 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -115.9 171.3 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.1 p -103.09 -171.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.16 -7.5 58.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.54 -79.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.501 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 59.2 m -38.21 -37.83 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CZ ' HG22 ' A' ' 49' ' ' THR . 73.6 t80 -67.28 -64.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 36' ' ' ARG . 3.7 ptm85 -55.96 -15.07 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -79.3 -49.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.79 -41.79 1.79 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 54.6 m80 -77.55 42.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -132.51 3.99 3.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.611 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -134.41 -44.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.611 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 2.5 t80 -51.04 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -78.04 40.84 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.542 HD13 ' CD2' ' A' ' 39' ' ' HIS . 1.5 mm? -48.08 -26.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.475 ' CD ' ' HG3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -37.98 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' LEU . 10.9 mt-10 -102.59 -35.88 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' LEU . 16.8 m-70 -62.08 74.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' GLU . 40.5 mm-40 -67.59 100.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.575 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 1.1 p -79.3 -177.51 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.202 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.26 145.0 11.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.699 0.762 . . . . 0.0 110.842 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 79.44 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.379 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.442 ' CE2' HD12 ' A' ' 29' ' ' LEU . 94.3 t80 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.774 0.239 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.51 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -101.7 177.53 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.2 t -46.4 132.42 10.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -71.71 1.5 6.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mm -106.17 -63.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 p -94.6 -32.29 13.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.51 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.6 m120 72.0 35.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 15.6 pt-20 -98.87 -53.14 3.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 1.1 p30 -168.05 105.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -76.52 134.17 39.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.9 p -122.55 -4.41 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -141.32 155.44 45.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -130.78 108.26 9.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.07 124.21 27.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.93 -31.88 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.03 -15.38 81.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 m -105.74 27.21 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 69.48 40.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.92 34.33 89.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -68.85 120.65 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.545 HD13 ' CE2' ' A' ' 52' ' ' TYR . 60.9 mt -76.44 118.65 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -119.9 166.71 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.8 p -97.86 -172.46 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.44 -7.11 59.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -104.74 -78.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.4 m -38.93 -35.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.551 ' CZ ' HG23 ' A' ' 49' ' ' THR . 76.8 t80 -69.64 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -59.72 -10.25 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -83.2 -49.37 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.61 -38.54 2.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 35' ' ' PHE . 34.6 m80 -78.83 41.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' N ' HD21 ' A' ' 44' ' ' LEU . 27.1 t0 -133.86 3.69 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.598 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -133.38 -44.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.598 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 5.3 t80 -52.16 -174.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.22 44.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.436 HD21 ' N ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -55.83 -13.95 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -20.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' GLN . 14.1 mm-40 -111.84 -34.46 6.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -60.35 83.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 46' ' ' GLU . 93.2 mm-40 -78.32 117.29 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.551 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 2.4 p -100.61 -178.84 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -163.96 157.2 15.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.2 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.545 ' CE2' HD13 ' A' ' 29' ' ' LEU . 84.2 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.769 0.237 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.503 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -107.15 179.03 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -49.44 132.02 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.19 0.75 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mm -106.23 -66.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -92.5 -30.17 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.503 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.7 m120 70.75 33.21 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -94.54 -58.1 2.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -163.38 105.08 0.97 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -78.54 127.98 32.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 p -119.2 -1.05 10.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -140.84 152.11 44.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -128.77 106.26 8.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.36 126.33 30.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.22 34.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.72 -20.22 70.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -102.47 30.3 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 63.79 47.87 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.82 38.18 91.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' CG ' ' CE2' ' A' ' 30' ' ' TYR . 19.7 t0 -71.05 120.82 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 52' ' ' TYR . 37.3 mt -77.28 115.66 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.466 ' CE2' ' CG ' ' A' ' 28' ' ' ASP . 40.5 m-85 -117.19 171.18 8.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -102.72 -172.16 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.96 -4.03 59.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.446 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 1.8 tmt_? -107.28 -78.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.446 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.6 m -39.96 -37.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CZ ' HG22 ' A' ' 49' ' ' THR . 65.3 t80 -65.92 -56.7 10.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -65.79 -7.14 14.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -88.95 -40.78 12.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.539 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -113.76 -38.34 1.19 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.5 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 57.0 m80 -83.52 44.25 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' N ' HD21 ' A' ' 44' ' ' LEU . 2.0 t70 -134.43 -2.59 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -131.53 -29.07 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.425 ' C ' HD23 ' A' ' 44' ' ' LEU . 3.7 t80 -65.56 -175.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -75.0 43.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.433 HD12 ' CD2' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -57.75 -12.6 3.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -50.26 -17.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' GLN . 28.0 mt-10 -116.41 -32.01 5.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -59.71 76.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' GLU . 18.6 mm-40 -71.79 100.46 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.577 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 1.7 p -78.87 179.01 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m -150.04 147.06 21.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.663 0.744 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 80.26 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.562 ' CE2' HD13 ' A' ' 29' ' ' LEU . 71.8 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.764 0.235 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.428 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -110.38 179.71 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.4 t -50.59 129.6 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.3 t -68.2 -1.83 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 mm -102.64 -66.2 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 p -91.26 -31.32 16.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.5 m120 71.1 33.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -98.58 -65.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -152.03 105.2 3.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.65 129.85 34.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 t -124.08 12.05 8.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.117 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 mt -150.2 155.79 40.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -134.11 105.69 6.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 37.3 t -76.57 125.35 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.7 -33.58 35.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.61 78.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.536 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m -102.21 25.85 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 70.96 41.77 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.401 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 65.31 26.22 71.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -63.66 121.57 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.547 ' CD1' ' CE1' ' A' ' 52' ' ' TYR . 61.0 mt -78.59 125.39 29.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -124.12 172.71 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.8 p -104.31 -172.63 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.31 -7.66 58.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.544 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -101.91 -79.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 58.4 m -40.77 -41.03 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CZ ' HG23 ' A' ' 49' ' ' THR . 57.1 t80 -61.14 -62.22 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -61.57 -8.98 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.69 -39.21 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.19 -44.76 1.06 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.506 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 68.7 m80 -78.88 43.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -130.75 4.26 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.645 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -134.8 -46.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.645 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 3.6 t80 -50.35 -177.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -77.52 43.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.488 HD12 ' CD2' ' A' ' 39' ' ' HIS . 1.5 mm? -51.33 -16.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -43.21 -25.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.68 -38.91 6.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -57.0 94.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -90.03 107.78 19.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.567 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 8.0 p -89.35 168.3 12.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -148.13 157.78 42.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 89.91 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.392 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.547 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 34.6 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 CA-C-O 120.779 0.241 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.509 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -107.6 174.9 5.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.6 t -44.65 126.54 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.16 -3.04 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -101.47 -65.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 p -94.22 -28.76 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.509 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.1 m120 68.03 36.45 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -101.04 -56.51 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -159.92 104.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.76 119.81 24.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 14.6 t -112.05 8.15 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' C ' ' A' ' 19' ' ' THR . 9.0 mt -150.03 155.22 39.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -130.45 110.49 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.65 123.61 26.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.08 -33.23 39.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.75 -21.62 79.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -97.86 26.28 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 68.69 42.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.22 34.38 87.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -72.19 115.69 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.543 HD21 ' CD2' ' A' ' 52' ' ' TYR . 13.6 mt -74.14 122.72 23.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -121.91 169.45 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.36 -172.19 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.69 -8.46 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 1.4 tmt_? -101.18 -78.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 56.9 m -40.93 -38.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 39' ' ' HIS . 61.2 t80 -65.32 -63.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -59.64 -11.62 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -84.48 -47.93 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.8 -40.62 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' PHE . 39.4 m80 -78.43 41.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -133.92 4.02 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.588 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.34 -43.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.588 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 4.6 t80 -52.37 -172.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -77.38 39.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -50.29 -20.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.48 -22.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . 14.8 mm-40 -108.7 -36.78 6.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -60.41 85.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -80.35 111.27 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 p -86.88 171.46 10.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.4 m -148.57 153.84 40.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 91.76 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CD2' HD21 ' A' ' 29' ' ' LEU . 65.4 t80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.801 0.25 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.498 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -102.84 177.37 4.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.0 t -47.75 129.31 13.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.8 -1.31 5.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -104.07 -65.97 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -92.57 -29.01 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 3.0 m120 68.48 34.16 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -98.12 -58.08 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -160.0 105.06 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -80.16 121.25 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.432 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 11.5 t -113.9 9.72 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HG ' ' C ' ' A' ' 19' ' ' THR . 7.9 mt -150.92 155.15 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -132.97 106.62 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.4 t -75.43 124.76 27.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.58 -33.73 35.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.8 -19.05 79.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.526 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -101.25 26.4 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.8 t70 69.66 41.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.76 30.87 78.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.05 116.64 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.527 HD21 ' CG ' ' A' ' 52' ' ' TYR . 49.4 mt -73.5 131.23 41.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -131.04 169.87 15.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -100.2 -172.21 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.97 -8.2 58.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.508 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.38 -78.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.508 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 60.5 m -38.33 -38.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 70.3 t80 -66.47 -61.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -57.07 -18.1 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.08 -51.81 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 40' ' ' ASP . . . -109.26 -39.38 1.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.545 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 33.2 m80 -76.67 41.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.842 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 38' ' ' GLY . 17.0 t0 -134.97 0.78 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.573 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.31 -42.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 3.7 t80 -51.05 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.467 ' CB ' ' HE3' ' A' ' 45' ' ' LYS . 93.8 m-20 -75.9 42.35 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.414 HD13 ' CD2' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -53.19 -15.57 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.467 ' HE3' ' CB ' ' A' ' 43' ' ' ASP . 10.9 pttp -46.35 -21.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -110.18 -30.94 7.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -67.66 89.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.785 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -85.43 111.33 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.521 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 2.7 p -93.32 172.17 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -150.81 156.27 35.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.693 0.759 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 84.17 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CG ' HD21 ' A' ' 29' ' ' LEU . 15.5 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.788 0.245 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.533 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -105.04 177.73 4.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.7 t -48.27 128.66 14.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -66.91 -2.43 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -102.25 -66.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 p -92.74 -28.95 16.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.533 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 4.4 m120 68.64 36.07 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -98.94 -57.24 2.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -161.25 105.41 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -81.42 123.22 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.426 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 8.6 t -117.07 7.93 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HG ' ' C ' ' A' ' 19' ' ' THR . 5.7 mt -149.14 151.58 34.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -128.4 107.33 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.407 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 48.0 t -76.51 125.01 28.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.86 -38.87 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.72 -19.02 70.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.447 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -103.18 27.8 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 68.58 46.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 58.01 30.57 63.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -64.88 126.2 27.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 52' ' ' TYR . 59.2 mt -80.41 118.77 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -118.52 177.29 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.9 p -111.06 -174.11 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.58 -9.19 59.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.652 ' CD ' ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -100.95 -81.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.452 ' N ' ' CG ' ' A' ' 33' ' ' ARG . 57.0 m -39.12 -36.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CZ ' HG22 ' A' ' 49' ' ' THR . 71.4 t80 -68.81 -61.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.03 -14.35 9.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.433 ' CG ' ' HD2' ' A' ' 33' ' ' ARG . 18.6 mm-40 -78.33 -51.15 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.73 -38.85 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' PHE . 35.4 m80 -79.35 40.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 110.827 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' HD23 ' A' ' 44' ' ' LEU . 15.1 t0 -134.01 3.61 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.67 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -132.64 -47.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.67 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 6.6 t80 -50.48 -178.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -75.6 47.45 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -56.47 -13.62 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -19.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -112.96 -19.76 11.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -75.88 48.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -48.7 106.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.577 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 1.1 p -85.43 173.84 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 t -140.98 148.71 53.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 80.46 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CE2' HD11 ' A' ' 29' ' ' LEU . 64.8 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.754 0.231 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.444 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -116.36 169.65 9.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 15' ' ' ASN . 37.2 t -46.54 127.77 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.8 t -67.68 -1.74 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mm -101.02 -65.7 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 p -92.49 -29.63 16.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 4.1 m120 71.49 35.27 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -100.04 -54.17 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -168.5 109.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -88.23 124.18 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -115.67 11.03 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -146.22 149.45 33.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -126.29 107.31 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.8 t -78.2 123.99 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.68 -36.95 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.25 -20.7 73.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 3.6 m -100.51 31.64 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 12.9 m-20 64.47 38.78 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.77 30.72 72.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -70.48 121.48 17.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.664 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 84.4 mt -77.38 132.97 38.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -129.25 176.55 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -107.71 -171.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.6 -7.63 58.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.53 -78.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.505 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 60.6 m -40.7 -37.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CZ ' HG23 ' A' ' 49' ' ' THR . 67.4 t80 -66.92 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -59.2 -11.28 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.54 -49.83 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.5 -39.15 2.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 35' ' ' PHE . 35.5 m80 -78.47 40.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' N ' HD21 ' A' ' 44' ' ' LEU . 8.5 t70 -133.48 3.71 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.599 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -133.0 -44.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.599 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 4.8 t80 -52.08 -174.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.29 42.96 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.429 HD21 ' C ' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -53.84 -18.31 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -43.41 -22.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLN . 17.2 mm-40 -109.23 -36.92 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -57.48 83.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' GLU . 38.3 mm-40 -78.72 109.45 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.578 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 1.9 p -90.16 -179.54 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.5 p -163.26 153.51 13.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 85.24 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.664 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 84.7 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 CA-C-O 120.813 0.255 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.534 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -111.27 177.55 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 15' ' ' ASN . 37.8 t -47.55 127.09 10.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.5 t -66.23 -3.14 5.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mm -101.89 -62.65 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 p -95.77 -28.22 14.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.534 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.7 m120 66.32 37.36 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 10.4 pt-20 -103.88 -51.44 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.494 ' CG ' ' O ' ' A' ' 17' ' ' ASP . 2.1 p-10 -164.12 107.15 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -85.67 121.29 28.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.409 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 10.1 t -113.8 9.25 17.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HG ' ' C ' ' A' ' 19' ' ' THR . 6.8 mt -150.35 148.57 28.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' THR . 6.4 ttp180 -125.14 110.48 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.23 126.28 30.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.92 -32.74 30.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.79 -18.62 79.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.6 25.56 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t0 70.05 43.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.76 35.03 91.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -72.28 123.75 23.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 52' ' ' TYR . 17.5 mt -80.92 119.15 23.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -116.97 177.65 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.8 p -109.0 -172.79 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.81 -6.58 59.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 1.7 tmt_? -104.22 -78.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 59.0 m -39.74 -40.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.616 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 61.9 t80 -64.31 -57.75 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -63.78 -11.99 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -86.43 -40.31 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.83 -43.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.616 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 50.4 m80 -77.38 45.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -133.15 2.94 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.584 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.77 -43.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.584 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 2.3 t80 -51.08 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.489 ' OD1' ' CG ' ' A' ' 45' ' ' LYS . 21.5 t70 -76.98 39.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 39' ' ' HIS . 1.6 mm? -45.09 -21.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' CG ' ' OD1' ' A' ' 43' ' ' ASP . 10.3 ptpt -50.07 -31.67 13.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -95.99 -24.12 16.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -77.48 98.22 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -86.42 106.13 17.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.403 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 1.3 p -97.64 159.68 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 m -144.53 158.75 53.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 91.81 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 29' ' ' LEU . 70.8 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.157 0 CA-C-O 120.805 0.252 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.27 176.55 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.7 t -47.11 128.34 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -68.39 -0.91 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mm -103.75 -64.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 p -93.86 -30.79 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 m120 71.06 33.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -97.37 -63.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -157.0 105.2 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.53 139.77 36.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.1 p -131.08 1.43 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -142.55 149.08 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -125.64 106.09 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.5 t -76.56 126.34 30.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.71 -36.79 36.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.39 -19.91 74.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.3 m -102.75 31.21 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 62.82 49.66 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.51 37.74 68.09 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -72.12 118.71 15.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 52' ' ' TYR . 69.3 mt -73.79 116.03 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -117.2 168.98 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.05 -173.06 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.87 -5.63 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.17 -79.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 59.1 m -40.87 -39.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 70.9 t80 -66.53 -61.83 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 3.6 ptm85 -57.62 -12.45 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -82.25 -51.53 7.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.78 -38.85 2.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 38.0 m80 -78.28 40.95 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -134.57 2.59 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.54 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -131.17 -42.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 3.1 t80 -52.56 -172.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 45' ' ' LYS . 3.3 m-20 -79.0 37.31 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -43.81 -22.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 43' ' ' ASP . 24.2 pttt -43.02 -27.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -102.24 -35.77 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -62.16 82.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -75.03 102.07 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.569 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -81.14 178.94 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.86 145.36 17.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 110.824 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 79.55 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.54 ' CE2' HD13 ' A' ' 29' ' ' LEU . 77.6 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.231 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.55 179.01 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.4 t -51.99 128.45 24.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.55 -1.97 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -102.43 -66.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.9 p -90.74 -31.89 16.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 m120 73.81 33.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -97.62 -65.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -155.49 105.53 2.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -79.77 128.14 33.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.428 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 8.9 t -121.65 8.07 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' HG ' ' C ' ' A' ' 19' ' ' THR . 5.3 mt -150.19 150.44 31.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 49' ' ' THR . 17.2 ttt85 -125.34 108.59 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.5 t -80.98 125.85 30.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.96 -36.24 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.46 -18.65 73.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.76 28.66 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 68.47 44.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.06 31.9 74.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -71.27 125.68 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 52' ' ' TYR . 63.2 mt -79.43 120.41 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -117.7 166.14 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 p -99.74 -172.07 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.25 -6.97 59.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 4.6 tmt_? -103.61 -78.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.517 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.7 m -41.33 -28.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.599 ' CZ ' HG23 ' A' ' 49' ' ' THR . 59.3 t80 -82.23 -58.33 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -66.02 -7.23 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -97.71 -40.95 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.548 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -107.57 -38.98 1.98 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.502 ' CG ' ' CD1' ' A' ' 35' ' ' PHE . 51.9 m80 -84.33 44.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' N ' HD21 ' A' ' 44' ' ' LEU . 3.8 t70 -134.65 -0.49 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -133.07 -27.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.437 ' N ' HD23 ' A' ' 44' ' ' LEU . 6.9 t80 -67.64 -175.16 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -74.72 45.49 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.456 HD21 ' N ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -59.73 -11.08 4.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -19.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 48' ' ' GLN . 38.5 mt-10 -114.24 -33.97 5.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -57.48 86.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 46' ' ' GLU . 71.5 mm-40 -81.98 112.02 18.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.599 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 7.7 p -95.7 179.89 4.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -161.2 156.86 21.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 80.24 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.565 ' CE2' HD12 ' A' ' 29' ' ' LEU . 87.0 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.123 0 CA-C-O 120.786 0.244 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.535 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -105.3 176.07 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 t -46.2 126.79 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -66.33 -2.83 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -101.64 -64.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.41 -28.46 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.535 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.3 m120 68.05 35.1 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.56 -57.2 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.45 105.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -80.56 127.0 31.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 p -116.91 -4.52 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -136.98 153.35 50.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -129.68 103.31 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.423 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 38.7 t -72.73 125.57 27.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.65 -38.99 38.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.63 -19.96 69.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.7 m -102.23 25.84 8.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.7 t0 69.87 43.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 62.21 29.62 73.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -63.68 119.8 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 52' ' ' TYR . 32.8 mt -75.48 116.95 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -117.13 173.93 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -104.83 -172.84 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.12 -6.01 59.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.545 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -104.39 -78.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.545 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 57.5 m -40.57 -39.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CZ ' HG23 ' A' ' 49' ' ' THR . 64.4 t80 -63.87 -57.11 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 14.5 mtp-105 -65.63 -5.89 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.18 -42.87 10.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.525 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -111.17 -37.2 1.69 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.512 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' PHE . 59.7 m80 -84.68 43.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -135.03 0.18 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -133.96 -29.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.477 ' N ' HD22 ' A' ' 44' ' ' LEU . 4.6 t80 -64.76 -174.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.94 41.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -50.97 -20.81 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -40.56 -27.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' LEU . 27.9 mm-40 -103.2 -33.89 9.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -63.93 93.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -92.92 103.94 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.569 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 10.0 p -84.92 171.49 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 m -144.44 158.09 54.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 82.9 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CE2' HD12 ' A' ' 29' ' ' LEU . 59.1 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.466 -0.14 0 CA-C-O 120.765 0.235 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.64 178.59 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 t -52.92 124.03 13.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -63.58 -6.33 5.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.1 -66.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 p -92.47 -32.63 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 74.45 32.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -95.33 -61.81 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -162.45 105.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -79.34 131.18 36.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.29 2.83 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -142.0 149.41 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -124.72 104.44 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.88 125.06 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.9 -36.74 41.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.93 -16.11 72.26 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.4 m -105.47 30.17 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.9 t0 66.0 38.78 4.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.47 27.34 73.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -63.89 126.66 28.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.563 HD12 ' CE2' ' A' ' 52' ' ' TYR . 50.2 mt -80.62 125.51 30.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -124.37 169.04 12.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.6 p -102.66 -172.32 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.69 -6.82 59.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.482 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 3.0 tmt_? -103.77 -78.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.482 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 38.3 m -42.93 -27.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 49' ' ' THR . 49.5 t80 -79.63 -60.61 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -65.1 -15.05 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.515 ' CD ' ' C ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -89.13 -44.4 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' CA ' ' OE2' ' A' ' 37' ' ' GLU . . . -98.68 -45.54 2.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 35' ' ' PHE . 68.0 m80 -82.46 42.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.819 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -131.11 6.91 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.669 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -135.01 -48.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.669 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 5.7 t80 -51.32 -174.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.64 43.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD22 ' C ' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -52.11 -16.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -44.47 -23.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -106.38 -36.42 6.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -58.58 88.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -82.92 115.99 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.564 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -96.91 174.96 6.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 p -152.34 152.17 28.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 85.17 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.563 ' CE2' HD12 ' A' ' 29' ' ' LEU . 87.7 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.733 0.222 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.42 ' C ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -97.17 177.7 5.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.469 ' N ' ' HB3' ' A' ' 18' ' ' ALA . 36.4 t -49.44 127.88 16.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.35 -2.13 5.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -102.08 -65.66 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 p -93.23 -30.06 15.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 m120 71.27 34.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.83 -63.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -156.39 104.99 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.469 ' HB3' ' N ' ' A' ' 11' ' ' CYS . . . -82.06 128.79 34.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 t -122.63 8.23 9.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -148.18 151.07 34.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -128.58 105.75 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.7 t -75.59 126.74 31.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.13 -37.56 33.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.21 -20.17 72.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m -101.47 27.32 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 67.61 45.17 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.3 34.19 87.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -68.93 121.46 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.7 mt -77.66 116.56 18.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -117.44 167.38 11.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.3 p -98.21 -172.54 2.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.91 -7.03 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.501 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.24 -79.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.501 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 61.0 m -38.16 -29.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.581 ' CE1' HG22 ' A' ' 49' ' ' THR . 82.1 t80 -80.94 -55.41 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -63.39 -16.75 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 38' ' ' GLY . 2.9 pt-20 -89.43 -42.57 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.481 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -98.84 -48.37 1.78 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 73.6 m80 -79.05 44.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.32 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -130.81 0.38 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -134.93 -40.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.44 ' N ' HD21 ' A' ' 44' ' ' LEU . 1.6 t80 -51.91 -173.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.48 ' CB ' ' HE2' ' A' ' 45' ' ' LYS . 1.4 m-20 -79.02 38.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -44.21 -26.76 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.48 ' HE2' ' CB ' ' A' ' 43' ' ' ASP . 18.3 pttt -39.29 -25.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 44' ' ' LEU . 82.3 mt-10 -105.01 -35.79 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -64.78 91.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -88.32 100.4 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.581 HG22 ' CE1' ' A' ' 35' ' ' PHE . 4.0 p -80.66 175.33 10.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 t -147.71 150.95 37.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.699 0.762 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 80.08 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 75.4 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.928 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.79 0.246 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.481 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -113.76 177.11 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' ASN . 35.8 t -48.6 125.71 10.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.76 -4.96 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -98.96 -64.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.2 p -94.55 -30.07 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.481 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 8.8 m120 69.18 37.89 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 17' ' ' ASP . 3.1 pp20? -101.85 -52.86 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 22.7 t0 -165.93 105.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -81.51 125.69 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.417 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 8.7 t -118.97 10.02 12.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HG ' ' C ' ' A' ' 19' ' ' THR . 7.1 mt -150.13 151.71 33.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -129.98 105.73 8.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.47 125.31 28.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.78 -35.75 43.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.34 -19.03 75.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.2 m -103.88 31.38 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 63.12 47.26 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.55 38.85 92.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -73.08 120.43 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.472 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 36.9 mt -75.2 123.89 26.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.18 172.06 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.1 p -102.04 -172.83 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.25 -6.37 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.153 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.59 -78.18 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.471 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 63.6 m -38.28 -38.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 39' ' ' HIS . 72.1 t80 -65.95 -57.54 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.7 mmm-85 -61.52 -15.35 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.14 -49.32 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.551 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -103.83 -40.91 2.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 35' ' ' PHE . 57.6 m80 -82.24 42.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.409 ' N ' HD23 ' A' ' 44' ' ' LEU . 4.6 t70 -134.64 -2.1 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -134.44 -23.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.449 ' C ' HD22 ' A' ' 44' ' ' LEU . 5.4 t80 -69.09 -174.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.46 40.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.497 HD12 ' CD2' ' A' ' 39' ' ' HIS . 1.2 mm? -54.08 -14.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -47.11 -20.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -113.42 -28.49 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -67.19 87.74 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -85.45 102.72 13.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.499 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 1.1 p -80.23 171.38 15.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.3 p -145.13 152.66 51.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 80.36 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.458 ' CE2' HD11 ' A' ' 29' ' ' LEU . 75.3 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.773 0.239 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.414 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -115.44 175.35 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.5 t -45.79 125.23 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.73 -2.99 4.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -100.56 -64.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.65 -29.51 14.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 3.1 m120 70.44 33.54 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -94.94 -62.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.72 105.13 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -77.82 129.83 35.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -122.31 0.45 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt -142.72 151.11 40.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 58.0 ttt-85 -128.38 101.52 6.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.22 128.52 36.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.17 -36.54 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.44 -18.29 75.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.9 m -102.97 27.37 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 65.26 44.11 3.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.468 ' HA3' ' CZ ' ' A' ' 21' ' ' ARG . . . 66.23 27.67 73.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.609 ' CG ' ' CE2' ' A' ' 30' ' ' TYR . 14.8 t0 -61.8 114.66 3.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.419 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 41.8 mt -73.36 122.18 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 28' ' ' ASP . 44.8 m-85 -123.05 170.91 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 p -102.36 -172.27 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.05 -7.46 58.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.93 -78.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.1 m -40.67 -41.43 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.542 ' CZ ' HG22 ' A' ' 49' ' ' THR . 77.6 t80 -61.08 -61.21 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 11.4 mtp-105 -60.81 -9.66 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.45 -41.08 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.31 -43.47 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.523 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 55.9 m80 -78.64 43.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -133.58 1.52 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.537 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -132.23 -43.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.537 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 3.3 t80 -51.64 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -77.68 41.07 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.525 HD13 ' N ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -47.22 -23.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.72 -27.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 47' ' ' HIS . 8.6 pt-20 -103.1 -33.02 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.473 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 18.7 m-70 -64.59 100.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -95.21 107.11 19.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.542 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 4.8 p -87.1 173.24 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.7 m -150.23 152.84 34.21 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.703 0.763 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 81.31 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.793 0.247 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.12 176.87 4.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.4 t -48.9 128.41 15.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.69 -1.96 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mm -102.05 -64.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 p -93.48 -30.56 14.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 m120 70.39 33.1 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -96.6 -63.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -155.76 105.24 2.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.79 132.35 35.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.4 p -122.28 -1.88 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt -140.29 154.48 46.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -131.09 105.26 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 48.7 t -71.17 124.39 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.09 -36.91 40.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.98 -18.75 74.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 m -102.38 26.84 7.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t0 69.4 41.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 65.41 31.02 78.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.536 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.06 121.02 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.511 HD13 ' CE2' ' A' ' 52' ' ' TYR . 66.5 mt -77.01 117.28 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -118.57 173.02 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 p -105.19 -172.05 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.37 -10.91 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -100.01 -77.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.2 m -40.68 -40.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.588 ' CZ ' HG21 ' A' ' 49' ' ' THR . 62.8 t80 -63.95 -57.08 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -66.14 -4.36 7.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -96.11 -38.92 9.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.531 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -109.92 -39.4 1.57 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CD2' HD13 ' A' ' 44' ' ' LEU . 65.1 m80 -85.93 45.2 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.778 0.323 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -134.98 1.28 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -133.94 -29.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.408 ' C ' HD21 ' A' ' 44' ' ' LEU . 2.8 t80 -66.7 -175.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.84 42.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.529 HD13 ' CD2' ' A' ' 39' ' ' HIS . 1.3 mm? -52.68 -16.32 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -44.03 -22.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 44' ' ' LEU . 25.3 mt-10 -110.15 -31.31 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -65.91 89.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -88.34 114.14 24.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.588 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 21.7 p -94.38 171.95 8.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 p -144.35 156.17 57.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 79.9 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.511 ' CE2' HD13 ' A' ' 29' ' ' LEU . 73.0 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -130.0 -60.73 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -56.22 117.06 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.63 -118.23 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -88.75 158.2 18.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -102.72 -55.97 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.58 85.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.551 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 13.8 mt -73.71 152.57 89.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.64 37.56 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.649 2.233 . . . . 0.0 112.37 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.551 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -109.08 176.06 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.414 ' N ' ' HB3' ' A' ' 18' ' ' ALA . 38.3 t -45.3 128.79 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.6 t -67.51 -2.25 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 mm -102.26 -65.38 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 p -93.12 -30.06 15.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.541 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 6.9 m120 69.18 35.58 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 10.7 pt-20 -100.56 -52.36 3.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.48 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 21.0 t0 -165.31 107.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' HB3' ' C ' ' A' ' 10' ' ' TRP . . . -84.09 127.52 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.412 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 12.2 t -120.38 7.6 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 19' ' ' THR . 5.8 mt -148.39 154.66 40.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -132.45 108.23 9.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 t -77.84 124.11 27.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.08 -33.91 44.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.64 -20.29 78.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 m -101.04 26.87 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.8 t70 69.99 42.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.07 33.11 84.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.2 118.28 12.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.489 HD22 ' CG ' ' A' ' 52' ' ' TYR . 20.6 mt -74.01 123.1 23.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -122.77 172.6 8.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -103.09 -172.47 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.26 -8.16 58.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.23 -78.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.9 m -40.51 -37.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CZ ' HG21 ' A' ' 49' ' ' THR . 68.9 t80 -65.78 -64.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -57.98 -11.57 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -77.88 -51.15 10.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' A' ' 40' ' ' ASP . . . -109.29 -36.84 2.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.463 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 34.1 m80 -78.38 40.23 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 38' ' ' GLY . 6.3 t0 -134.92 5.53 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.61 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -133.93 -44.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.61 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 5.3 t80 -52.73 -172.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.85 39.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -49.8 -19.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -42.22 -23.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' GLN . 49.6 mm-40 -107.5 -37.28 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -58.61 78.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' GLU . 45.3 mm-40 -74.49 111.25 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.563 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 1.7 p -92.69 165.78 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.1 m -140.9 153.3 67.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.713 0.768 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 81.18 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.748 2.298 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CG ' HD22 ' A' ' 29' ' ' LEU . 75.0 t80 -74.94 141.31 44.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -131.48 100.16 16.76 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -173.01 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.713 2.276 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 2.3 mpt_? -77.57 50.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 29.4 mtp180 35.31 52.5 1.58 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 53.5 Cg_endo -69.77 -50.51 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.6 t -127.62 44.85 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' CD ' ' C ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -74.52 176.48 6.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.58 160.81 36.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -125.53 65.57 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 m -156.44 164.21 38.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.7 -158.18 18.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 140.56 42.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.56 150.6 51.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.2 t -137.15 133.77 35.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.48 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -97.89 119.47 36.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -86.6 176.17 7.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.53 -51.58 0.96 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -126.76 132.49 51.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 110.895 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 t -78.65 -64.07 1.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.56 140.16 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.548 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.7 mt -125.68 151.65 71.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.88 12.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.37 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.548 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -126.99 177.27 6.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ASN . 37.8 t -55.4 124.75 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.5 t -65.12 -2.74 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mm -99.86 -62.08 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 p -97.48 -24.93 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' CYS . 1.8 m-80 65.07 35.04 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -98.97 -63.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -159.15 105.11 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB2' ' C ' ' A' ' 10' ' ' TRP . . . -77.92 130.03 36.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -121.37 7.86 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mt -149.81 152.2 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -128.9 105.94 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 t -77.29 124.58 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.65 49.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.2 -20.97 71.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.9 m -102.39 32.31 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 63.27 45.77 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.5 34.17 79.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.403 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 18.9 m-20 -69.29 116.61 9.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' CD1' ' O ' ' A' ' 8' ' ' LEU . 32.6 mt -72.4 117.22 13.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 28' ' ' ASP . 49.9 m-85 -118.22 171.2 8.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.9 p -101.83 -173.0 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.76 -7.82 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.67 -78.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.476 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 56.2 m -40.8 -37.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CZ ' HG21 ' A' ' 49' ' ' THR . 65.2 t80 -65.35 -61.51 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 49.0 mmm-85 -58.45 -21.1 50.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -72.28 -53.14 13.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.8 -44.1 1.99 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' PHE . 48.6 m80 -78.08 41.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' N ' HD22 ' A' ' 44' ' ' LEU . 30.5 t70 -133.83 7.1 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.571 ' ND2' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -134.95 -48.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 41' ' ' ASN . 7.2 t80 -50.44 -176.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -75.3 46.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -55.1 -15.44 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -45.4 -25.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLN . 50.2 mt-10 -104.9 -35.19 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -59.28 77.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.7 mm-40 -70.74 116.68 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.544 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 1.4 p -102.53 165.21 11.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.2 m -140.14 152.81 68.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.695 0.76 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 85.38 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -83.69 141.66 31.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -141.22 107.36 6.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 179.04 3.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.636 2.224 . . . . 0.0 112.408 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 56' ' ' ARG . 6.6 tmm_? -91.34 -33.74 15.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 1.1 mpt_? -35.52 -60.17 0.64 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.8 Cg_endo -69.79 -175.04 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.722 2.281 . . . . 0.0 112.344 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.8 p -171.82 132.41 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -88.87 128.12 35.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -128.91 160.57 32.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -100.59 97.36 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -133.68 140.71 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.53 65.56 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.44 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.0 p -123.86 133.42 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 m -48.52 133.49 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.493 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -102.76 144.55 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -88.07 43.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.33 49.53 0.59 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -128.04 47.66 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -162.04 157.3 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.48 87.21 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.538 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 15.8 mt -42.57 152.42 0.35 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.51 32.04 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.564 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -102.29 175.68 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.9 t -44.32 128.66 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.93 -0.6 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.6 mm -103.35 -62.29 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 p -96.88 -30.5 13.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.564 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 4.5 m120 69.88 38.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 15.6 pt-20 -102.94 -50.23 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.482 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 5.9 m-20 -167.78 107.69 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -81.69 128.8 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 p -119.8 -2.62 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -141.31 154.82 45.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.4 ttt85 -130.11 105.71 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.5 t -75.15 126.66 31.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.42 -37.96 31.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.14 -20.19 72.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 m -100.99 26.06 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.2 t0 68.21 45.82 1.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.72 35.28 89.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -70.88 117.56 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 30.6 mt -73.4 119.3 17.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -119.56 169.86 9.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.9 p -100.31 -172.53 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.25 -4.74 59.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.539 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.54 -78.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.539 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 60.4 m -39.42 -38.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 49' ' ' THR . 64.4 t80 -66.22 -59.23 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -62.09 -13.59 28.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -84.29 -47.4 10.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.65 -42.1 1.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' PHE . 44.9 m80 -79.59 42.49 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' N ' HD22 ' A' ' 44' ' ' LEU . 6.1 t70 -132.31 1.12 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.561 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.6 -41.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.561 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 7.2 t80 -51.91 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.57 45.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.447 HD22 ' C ' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -59.46 -18.62 41.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.18 -21.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' GLN . 13.9 mm-40 -111.65 -36.87 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -55.27 86.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' GLU . 62.9 mm-40 -79.75 114.48 18.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.555 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 1.5 p -97.62 171.67 8.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.7 m -148.5 155.27 42.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -95.61 149.7 21.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -142.8 114.85 6.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.693 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -173.14 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.38 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.8 ptp180 -83.6 51.68 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' ARG . 6.6 ptt180 33.95 54.69 1.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 54.0 Cg_endo -69.74 6.28 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.9 t -76.4 121.99 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -105.83 45.07 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -108.04 121.75 45.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -131.25 -50.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -166.02 163.91 18.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.9 128.31 3.55 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.63 114.22 3.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.385 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 m -81.41 91.16 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.6 p -117.0 151.11 37.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.811 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.503 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 p -60.77 -54.69 42.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -112.17 112.25 23.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -109.51 58.3 0.39 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 4' ' ' GLY . 37.4 p -36.97 141.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.802 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -164.53 149.62 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.0 115.53 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 9.1 mt -56.9 155.38 15.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -28.87 24.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.494 ' NE1' ' OD1' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -104.91 -179.85 4.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.493 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 49.6 t -54.22 133.51 44.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.47 3.94 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -109.52 -62.25 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 p -95.24 -27.2 15.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.494 ' OD1' ' NE1' ' A' ' 10' ' ' TRP . 2.2 m-80 64.2 39.52 7.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 24.6 pt-20 -103.98 -52.65 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 1.2 p30 -168.74 105.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -76.84 129.08 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.6 p -117.68 0.24 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mt -145.08 152.25 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -127.99 108.95 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.1 t -77.77 126.71 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.76 -37.31 30.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.36 -20.2 75.04 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 m -101.08 27.75 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.53 48.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.28 32.64 68.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.97 122.64 18.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 8' ' ' LEU . 58.4 mt -79.99 115.74 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -115.9 171.3 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.1 p -103.09 -171.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.16 -7.5 58.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.54 -79.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.501 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 59.2 m -38.21 -37.83 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CZ ' HG22 ' A' ' 49' ' ' THR . 73.6 t80 -67.28 -64.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 36' ' ' ARG . 3.7 ptm85 -55.96 -15.07 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -79.3 -49.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.79 -41.79 1.79 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 54.6 m80 -77.55 42.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -132.51 3.99 3.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.611 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -134.41 -44.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.611 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 2.5 t80 -51.04 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -78.04 40.84 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.542 HD13 ' CD2' ' A' ' 39' ' ' HIS . 1.5 mm? -48.08 -26.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.475 ' CD ' ' HG3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -37.98 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' LEU . 10.9 mt-10 -102.59 -35.88 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' LEU . 16.8 m-70 -62.08 74.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' GLU . 40.5 mm-40 -67.59 100.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.575 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 1.1 p -79.3 -177.51 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.202 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.26 145.0 11.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.699 0.762 . . . . 0.0 110.842 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 79.44 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.379 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.442 ' CE2' HD12 ' A' ' 29' ' ' LEU . 94.3 t80 -68.52 164.1 21.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.439 ' N ' ' CG ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -160.4 105.89 1.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 53.6 Cg_endo -69.75 150.42 68.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -48.01 -63.76 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -142.75 105.03 5.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -32.24 18.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 86.8 m 59.37 43.79 16.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -58.87 119.85 7.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -133.91 74.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -127.8 34.56 4.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 83.3 p -127.03 141.78 51.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.84 -154.93 16.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 132.23 22.87 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -121.53 177.27 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.8 t -153.52 155.47 36.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.493 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -153.58 121.16 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -43.17 -44.81 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.14 71.76 0.53 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -159.32 128.47 5.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -90.89 -51.54 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.02 83.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.504 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 12.7 mt -40.67 150.79 0.27 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.718 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -24.0 30.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.374 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.51 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -101.7 177.53 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.2 t -46.4 132.42 10.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -71.71 1.5 6.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mm -106.17 -63.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 p -94.6 -32.29 13.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.51 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.6 m120 72.0 35.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 15.6 pt-20 -98.87 -53.14 3.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 1.1 p30 -168.05 105.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -76.52 134.17 39.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.9 p -122.55 -4.41 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -141.32 155.44 45.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -130.78 108.26 9.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.07 124.21 27.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.93 -31.88 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.03 -15.38 81.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 m -105.74 27.21 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 69.48 40.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.92 34.33 89.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -68.85 120.65 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.545 HD13 ' CE2' ' A' ' 52' ' ' TYR . 60.9 mt -76.44 118.65 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -119.9 166.71 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.8 p -97.86 -172.46 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.44 -7.11 59.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -104.74 -78.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.4 m -38.93 -35.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.551 ' CZ ' HG23 ' A' ' 49' ' ' THR . 76.8 t80 -69.64 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -59.72 -10.25 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -83.2 -49.37 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.61 -38.54 2.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 35' ' ' PHE . 34.6 m80 -78.83 41.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' N ' HD21 ' A' ' 44' ' ' LEU . 27.1 t0 -133.86 3.69 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.598 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -133.38 -44.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.598 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 5.3 t80 -52.16 -174.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.22 44.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.436 HD21 ' N ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -55.83 -13.95 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -20.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' GLN . 14.1 mm-40 -111.84 -34.46 6.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -60.35 83.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 46' ' ' GLU . 93.2 mm-40 -78.32 117.29 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.551 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 2.4 p -100.61 -178.84 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -163.96 157.2 15.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.2 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.569 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 84.2 t80 -68.42 167.17 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 52' ' ' TYR . 21.3 m170 -166.69 105.07 0.66 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.619 0.723 . . . . 0.0 110.818 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.51 ' HD3' ' CE2' ' A' ' 52' ' ' TYR . 54.1 Cg_endo -69.75 1.09 4.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 45.03 25.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.624 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 9.9 ttp180 -70.84 -52.11 10.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.567 0.699 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.8 Cg_endo -69.81 84.98 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.2 p -99.89 35.2 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -67.99 -54.15 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -156.42 116.24 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -67.26 105.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.7 p -174.19 169.93 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.56 168.0 6.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.442 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 144.82 55.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 p -44.97 169.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 m -131.52 42.14 3.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.454 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m -71.92 90.05 1.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.909 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -73.31 -30.01 63.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.4 -92.11 1.43 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -107.6 88.91 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.5 p -69.03 166.66 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.4 102.55 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 mt -58.68 152.07 48.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -21.67 33.16 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.503 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -107.15 179.03 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -49.44 132.02 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.19 0.75 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mm -106.23 -66.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -92.5 -30.17 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.503 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.7 m120 70.75 33.21 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -94.54 -58.1 2.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -163.38 105.08 0.97 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -78.54 127.98 32.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 p -119.2 -1.05 10.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -140.84 152.11 44.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -128.77 106.26 8.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.36 126.33 30.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.22 34.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.72 -20.22 70.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -102.47 30.3 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 63.79 47.87 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.82 38.18 91.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' CG ' ' CE2' ' A' ' 30' ' ' TYR . 19.7 t0 -71.05 120.82 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 52' ' ' TYR . 37.3 mt -77.28 115.66 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.466 ' CE2' ' CG ' ' A' ' 28' ' ' ASP . 40.5 m-85 -117.19 171.18 8.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -102.72 -172.16 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.96 -4.03 59.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.446 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 1.8 tmt_? -107.28 -78.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.446 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.6 m -39.96 -37.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CZ ' HG22 ' A' ' 49' ' ' THR . 65.3 t80 -65.92 -56.7 10.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -65.79 -7.14 14.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -88.95 -40.78 12.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.539 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -113.76 -38.34 1.19 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.5 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 57.0 m80 -83.52 44.25 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' N ' HD21 ' A' ' 44' ' ' LEU . 2.0 t70 -134.43 -2.59 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -131.53 -29.07 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.425 ' C ' HD23 ' A' ' 44' ' ' LEU . 3.7 t80 -65.56 -175.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -75.0 43.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.433 HD12 ' CD2' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -57.75 -12.6 3.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -50.26 -17.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' GLN . 28.0 mt-10 -116.41 -32.01 5.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -59.71 76.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' GLU . 18.6 mm-40 -71.79 100.46 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.577 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 1.7 p -78.87 179.01 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m -150.04 147.06 21.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.663 0.744 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 80.26 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.562 ' CE2' HD13 ' A' ' 29' ' ' LEU . 71.8 t80 -78.56 137.68 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.411 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 28.6 t60 -135.04 95.75 14.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 53.2 Cg_endo -69.79 -178.22 2.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 56' ' ' ARG . 7.7 ptm180 -60.64 135.83 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 55' ' ' ARG . 9.5 ttt180 -31.27 94.61 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.476 ' N ' ' O ' ' A' ' 55' ' ' ARG . 54.2 Cg_endo -69.7 -179.39 2.85 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.396 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.1 t -120.57 101.4 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -130.46 150.03 51.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -123.58 -55.39 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -73.06 116.24 13.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.5 m -130.29 112.3 13.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 60.15 72.1 0.68 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.2 27.78 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 t 40.53 41.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -124.96 42.02 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.464 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -117.61 158.29 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -160.18 139.71 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.07 40.51 42.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.538 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -87.22 124.35 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -129.08 -47.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.65 125.15 5.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.579 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 63.8 mt -106.48 155.01 39.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.74 37.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.731 2.287 . . . . 0.0 112.324 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.579 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -110.38 179.71 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.4 t -50.59 129.6 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.3 t -68.2 -1.83 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 mm -102.64 -66.2 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 p -91.26 -31.32 16.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.5 m120 71.1 33.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -98.58 -65.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -152.03 105.2 3.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.65 129.85 34.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 t -124.08 12.05 8.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.117 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 mt -150.2 155.79 40.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -134.11 105.69 6.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 37.3 t -76.57 125.35 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.7 -33.58 35.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.61 78.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.536 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m -102.21 25.85 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 70.96 41.77 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 65.31 26.22 71.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -63.66 121.57 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.547 ' CD1' ' CE1' ' A' ' 52' ' ' TYR . 61.0 mt -78.59 125.39 29.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -124.12 172.71 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.8 p -104.31 -172.63 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.31 -7.66 58.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.544 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -101.91 -79.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 58.4 m -40.77 -41.03 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CZ ' HG23 ' A' ' 49' ' ' THR . 57.1 t80 -61.14 -62.22 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -61.57 -8.98 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.69 -39.21 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.19 -44.76 1.06 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.506 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 68.7 m80 -78.88 43.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -130.75 4.26 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.645 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -134.8 -46.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.645 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 3.6 t80 -50.35 -177.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -77.52 43.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.488 HD12 ' CD2' ' A' ' 39' ' ' HIS . 1.5 mm? -51.33 -16.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -43.21 -25.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.68 -38.91 6.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -57.0 94.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -90.03 107.78 19.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.567 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 8.0 p -89.35 168.3 12.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -148.13 157.78 42.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 89.91 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.392 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.547 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 34.6 t80 -102.21 119.4 38.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -125.42 115.36 25.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -177.39 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.638 2.226 . . . . 0.0 112.361 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.69 28.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.578 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -77.55 -55.29 1.3 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 0.0 110.879 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.6 Cg_endo -69.74 -52.62 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' PRO . 6.0 m 34.4 36.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 57' ' ' PRO . 25.0 tp60 -145.85 139.82 26.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.77 158.56 29.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -99.46 129.01 45.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.4 p -116.2 162.81 16.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.1 -71.08 0.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 103.2 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.246 . . . . 0.0 112.3 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -93.68 159.14 15.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.8 t 48.46 41.8 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.488 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -61.16 158.63 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -92.22 139.69 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.68 99.64 2.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -171.97 131.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -103.89 82.81 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.57 98.03 0.99 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.538 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 69.7 mt -49.12 153.35 1.64 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.93 35.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.538 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -107.6 174.9 5.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.6 t -44.65 126.54 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.16 -3.04 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -101.47 -65.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 p -94.22 -28.76 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.509 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.1 m120 68.03 36.45 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -101.04 -56.51 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -159.92 104.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.76 119.81 24.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 14.6 t -112.05 8.15 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' C ' ' A' ' 19' ' ' THR . 9.0 mt -150.03 155.22 39.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -130.45 110.49 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.65 123.61 26.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.08 -33.23 39.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.75 -21.62 79.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -97.86 26.28 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 68.69 42.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.22 34.38 87.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -72.19 115.69 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.543 HD21 ' CD2' ' A' ' 52' ' ' TYR . 13.6 mt -74.14 122.72 23.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -121.91 169.45 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.36 -172.19 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.69 -8.46 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 1.4 tmt_? -101.18 -78.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 56.9 m -40.93 -38.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 39' ' ' HIS . 61.2 t80 -65.32 -63.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -59.64 -11.62 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -84.48 -47.93 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.8 -40.62 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' PHE . 39.4 m80 -78.43 41.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -133.92 4.02 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.588 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.34 -43.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.588 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 4.6 t80 -52.37 -172.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -77.38 39.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -50.29 -20.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.48 -22.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . 14.8 mm-40 -108.7 -36.78 6.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -60.41 85.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -80.35 111.27 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 p -86.88 171.46 10.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.4 m -148.57 153.84 40.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 91.76 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.543 ' CD2' HD21 ' A' ' 29' ' ' LEU . 65.4 t80 -100.97 152.57 20.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -147.18 108.54 3.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.738 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -54.31 -15.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.6 mtp180 63.86 54.94 1.67 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 54.1 Cg_endo -69.82 130.86 19.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.65 45.51 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -118.87 88.12 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -133.41 120.22 20.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -47.37 173.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.4 t -105.09 -52.54 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.71 -148.96 7.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.83 3.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.8 p -68.9 174.13 4.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.6 t -74.99 123.59 25.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.501 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 t -111.05 119.35 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -96.8 -43.29 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 88.04 40.27 6.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.7 p 35.57 41.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -156.07 157.4 36.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -65.55 108.1 2.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 20.7 mt -36.49 155.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -23.83 30.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.559 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -102.84 177.37 4.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.0 t -47.75 129.31 13.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.8 -1.31 5.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -104.07 -65.97 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -92.57 -29.01 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 3.0 m120 68.48 34.16 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -98.12 -58.08 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -160.0 105.06 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -80.16 121.25 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.432 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 11.5 t -113.9 9.72 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HG ' ' C ' ' A' ' 19' ' ' THR . 7.9 mt -150.92 155.15 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -132.97 106.62 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.4 t -75.43 124.76 27.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.58 -33.73 35.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.8 -19.05 79.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.526 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -101.25 26.4 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.8 t70 69.66 41.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.76 30.87 78.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.05 116.64 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.527 HD21 ' CG ' ' A' ' 52' ' ' TYR . 49.4 mt -73.5 131.23 41.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -131.04 169.87 15.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -100.2 -172.21 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.97 -8.2 58.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.508 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.38 -78.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.508 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 60.5 m -38.33 -38.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 70.3 t80 -66.47 -61.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -57.07 -18.1 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.08 -51.81 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 40' ' ' ASP . . . -109.26 -39.38 1.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.545 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 33.2 m80 -76.67 41.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.842 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 38' ' ' GLY . 17.0 t0 -134.97 0.78 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.573 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.31 -42.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 3.7 t80 -51.05 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.467 ' CB ' ' HE3' ' A' ' 45' ' ' LYS . 93.8 m-20 -75.9 42.35 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.414 HD13 ' CD2' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -53.19 -15.57 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.467 ' HE3' ' CB ' ' A' ' 43' ' ' ASP . 10.9 pttp -46.35 -21.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -110.18 -30.94 7.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -67.66 89.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.785 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -85.43 111.33 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.521 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 2.7 p -93.32 172.17 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -150.81 156.27 35.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.693 0.759 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 84.17 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CG ' HD21 ' A' ' 29' ' ' LEU . 15.5 t80 -95.05 111.28 23.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -110.86 111.36 56.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 171.98 13.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 57' ' ' PRO . 31.5 mmt180 -37.45 111.28 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 14.4 ptt180 -28.48 92.64 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 55' ' ' ARG . 54.2 Cg_endo -69.73 172.91 11.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 m -116.99 96.07 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -99.98 42.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -85.31 68.16 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -47.7 106.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.8 t -101.03 79.95 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -136.2 122.61 2.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.64 4.66 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.25 . . . . 0.0 112.347 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 m -117.57 170.96 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -96.46 161.58 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 p -91.43 -50.9 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 p -54.43 118.78 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.12 46.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -40.98 121.17 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -104.2 142.57 34.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.68 81.9 1.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.522 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 21.1 mt -71.11 151.57 94.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.45 36.02 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.533 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -105.04 177.73 4.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.7 t -48.27 128.66 14.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -66.91 -2.43 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mm -102.25 -66.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 p -92.74 -28.95 16.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.533 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 4.4 m120 68.64 36.07 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -98.94 -57.24 2.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -161.25 105.41 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -81.42 123.22 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.426 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 8.6 t -117.07 7.93 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HG ' ' C ' ' A' ' 19' ' ' THR . 5.7 mt -149.14 151.58 34.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -128.4 107.33 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.407 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 48.0 t -76.51 125.01 28.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.86 -38.87 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.72 -19.02 70.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.447 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -103.18 27.8 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 68.58 46.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 58.01 30.57 63.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -64.88 126.2 27.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 52' ' ' TYR . 59.2 mt -80.41 118.77 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -118.52 177.29 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.9 p -111.06 -174.11 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.58 -9.19 59.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.652 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -100.95 -81.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.452 ' N ' ' CG ' ' A' ' 33' ' ' ARG . 57.0 m -39.12 -36.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CZ ' HG22 ' A' ' 49' ' ' THR . 71.4 t80 -68.81 -61.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.03 -14.35 9.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' CG ' ' HD2' ' A' ' 33' ' ' ARG . 18.6 mm-40 -78.33 -51.15 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.73 -38.85 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' PHE . 35.4 m80 -79.35 40.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 110.827 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' HD23 ' A' ' 44' ' ' LEU . 15.1 t0 -134.01 3.61 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.67 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -132.64 -47.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.67 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 6.6 t80 -50.48 -178.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -75.6 47.45 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -56.47 -13.62 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -19.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -112.96 -19.76 11.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -75.88 48.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -48.7 106.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.577 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 1.1 p -85.43 173.84 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 t -140.98 148.71 53.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 80.46 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CE2' HD11 ' A' ' 29' ' ' LEU . 64.8 t80 -84.67 134.29 34.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 7.8 m-70 -134.28 101.55 12.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.554 0.692 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 54.0 Cg_endo -69.76 2.43 3.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.362 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 57.4 25.13 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 17.1 ttt85 -82.39 -62.12 0.32 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 56' ' ' ARG . 53.8 Cg_endo -69.81 136.15 32.15 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.9 m -56.25 157.26 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.36 146.22 44.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.978 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -107.23 136.66 46.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -60.52 -60.98 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -142.01 134.76 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.74 118.51 3.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 165.34 31.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.7 p -76.0 84.51 2.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.4 p -147.87 175.65 10.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.482 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -81.07 44.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -41.63 -44.62 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.09 130.81 2.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 t -145.9 149.73 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -152.29 173.1 15.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.1 116.12 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.579 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 32.3 mt -94.04 152.72 40.65 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.577 0.703 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -9.03 25.1 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.579 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -116.36 169.65 9.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 15' ' ' ASN . 37.2 t -46.54 127.77 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.8 t -67.68 -1.74 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mm -101.02 -65.7 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 p -92.49 -29.63 16.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 4.1 m120 71.49 35.27 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -100.04 -54.17 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -168.5 109.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -88.23 124.18 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -115.67 11.03 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -146.22 149.45 33.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -126.29 107.31 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.8 t -78.2 123.99 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.68 -36.95 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.25 -20.7 73.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 3.6 m -100.51 31.64 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 12.9 m-20 64.47 38.78 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.77 30.72 72.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -70.48 121.48 17.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.664 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 84.4 mt -77.38 132.97 38.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -129.25 176.55 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -107.71 -171.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.6 -7.63 58.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.53 -78.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.505 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 60.6 m -40.7 -37.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CZ ' HG23 ' A' ' 49' ' ' THR . 67.4 t80 -66.92 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -59.2 -11.28 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.54 -49.83 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.5 -39.15 2.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 35' ' ' PHE . 35.5 m80 -78.47 40.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' N ' HD21 ' A' ' 44' ' ' LEU . 8.5 t70 -133.48 3.71 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.599 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -133.0 -44.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.599 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 4.8 t80 -52.08 -174.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.29 42.96 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.429 HD21 ' C ' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -53.84 -18.31 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -43.41 -22.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLN . 17.2 mm-40 -109.23 -36.92 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -57.48 83.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' GLU . 38.3 mm-40 -78.72 109.45 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.578 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 1.9 p -90.16 -179.54 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.5 p -163.26 153.51 13.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 85.24 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.664 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 84.7 t80 -84.47 33.03 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 5.7 p80 -31.96 95.21 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.591 0.71 . . . . 0.0 110.841 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' TYR . 53.8 Cg_endo -69.8 139.18 39.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -83.94 27.41 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 2.0 mmt-85 -81.94 -67.06 0.22 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.724 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 56' ' ' ARG . 53.7 Cg_endo -69.75 85.02 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 64.4 m -108.56 -49.12 3.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -91.06 57.51 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.38 87.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -51.33 114.96 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 t 64.25 45.58 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.782 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.02 62.88 0.57 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -179.35 2.89 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.1 t -68.95 -49.61 56.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 t -43.77 148.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.818 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.497 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -145.79 123.29 11.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -93.99 -46.07 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.45 97.97 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 t -75.57 -65.88 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.824 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -153.95 168.5 26.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.49 130.75 10.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.436 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 13.7 mt -80.21 152.82 74.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.897 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -18.6 36.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.336 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.534 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -111.27 177.55 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 15' ' ' ASN . 37.8 t -47.55 127.09 10.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.5 t -66.23 -3.14 5.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mm -101.89 -62.65 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 p -95.77 -28.22 14.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.534 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.7 m120 66.32 37.36 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 10.4 pt-20 -103.88 -51.44 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.494 ' CG ' ' O ' ' A' ' 17' ' ' ASP . 2.1 p-10 -164.12 107.15 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -85.67 121.29 28.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.409 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 10.1 t -113.8 9.25 17.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HG ' ' C ' ' A' ' 19' ' ' THR . 6.8 mt -150.35 148.57 28.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' THR . 6.4 ttp180 -125.14 110.48 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.23 126.28 30.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.92 -32.74 30.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.79 -18.62 79.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.6 25.56 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t0 70.05 43.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.76 35.03 91.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -72.28 123.75 23.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 52' ' ' TYR . 17.5 mt -80.92 119.15 23.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -116.97 177.65 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.8 p -109.0 -172.79 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.81 -6.58 59.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 1.7 tmt_? -104.22 -78.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 59.0 m -39.74 -40.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.616 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 61.9 t80 -64.31 -57.75 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -63.78 -11.99 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -86.43 -40.31 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.83 -43.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.616 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 50.4 m80 -77.38 45.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -133.15 2.94 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.584 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.77 -43.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.584 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 2.3 t80 -51.08 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.489 ' OD1' ' CG ' ' A' ' 45' ' ' LYS . 21.5 t70 -76.98 39.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 39' ' ' HIS . 1.6 mm? -45.09 -21.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' CG ' ' OD1' ' A' ' 43' ' ' ASP . 10.3 ptpt -50.07 -31.67 13.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -95.99 -24.12 16.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -77.48 98.22 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -86.42 106.13 17.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.403 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 1.3 p -97.64 159.68 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 m -144.53 158.75 53.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 91.81 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 29' ' ' LEU . 70.8 t80 -83.28 138.67 33.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -132.78 92.47 26.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 110.818 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -176.52 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' A' ' 56' ' ' ARG . 30.8 mtp180 -54.12 120.13 6.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 55' ' ' ARG . 62.2 mtp180 -30.49 94.4 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.644 0.735 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.8 -174.13 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.276 . . . . 0.0 112.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 25.4 t -127.09 36.22 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -124.05 166.79 15.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 69.29 48.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -143.44 147.27 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 t 42.82 41.95 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.21 69.37 0.29 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -47.38 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.0 p -135.35 163.46 29.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -164.27 154.25 14.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.46 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -66.84 162.91 20.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -99.29 95.46 7.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.62 103.42 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -110.67 116.11 30.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -39.24 -52.19 1.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.69 131.48 3.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.488 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 74.0 mt -46.32 155.54 0.55 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.51 29.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.488 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -104.27 176.55 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 33.7 t -47.11 128.34 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -68.39 -0.91 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mm -103.75 -64.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 p -93.86 -30.79 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 m120 71.06 33.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -97.37 -63.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -157.0 105.2 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.53 139.77 36.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.1 p -131.08 1.43 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -142.55 149.08 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -125.64 106.09 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.5 t -76.56 126.34 30.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.71 -36.79 36.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.39 -19.91 74.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.3 m -102.75 31.21 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 62.82 49.66 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.51 37.74 68.09 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -72.12 118.71 15.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 52' ' ' TYR . 69.3 mt -73.79 116.03 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -117.2 168.98 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.05 -173.06 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.87 -5.63 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.17 -79.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 59.1 m -40.87 -39.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 70.9 t80 -66.53 -61.83 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 36' ' ' ARG . 3.6 ptm85 -57.62 -12.45 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -82.25 -51.53 7.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.78 -38.85 2.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 38.0 m80 -78.28 40.95 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -134.57 2.59 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.54 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -131.17 -42.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 3.1 t80 -52.56 -172.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 45' ' ' LYS . 3.3 m-20 -79.0 37.31 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -43.81 -22.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 43' ' ' ASP . 24.2 pttt -43.02 -27.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -102.24 -35.77 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -62.16 82.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -75.03 102.07 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.569 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -81.14 178.94 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.86 145.36 17.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 110.824 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 79.55 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.54 ' CE2' HD13 ' A' ' 29' ' ' LEU . 77.6 t80 -77.09 142.33 39.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -134.97 95.13 15.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.65 14.92 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -83.12 22.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.55 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -91.08 -65.56 0.15 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 56' ' ' ARG . 53.9 Cg_endo -69.79 100.45 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 97.1 m -78.39 90.03 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -120.14 110.28 16.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.76 84.36 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 14.0 p-80 -136.91 122.14 19.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 t -61.75 -62.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.6 147.71 4.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 146.23 59.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.6 p -86.37 166.85 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.6 p -80.81 134.1 35.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.484 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 m -55.64 105.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.82 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -144.47 166.19 25.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.6 120.82 7.0 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 6' ' ' SER . 49.6 m -128.37 -50.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.5 m -37.06 150.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.09 98.72 1.01 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 19.9 mt -95.85 152.7 39.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.604 0.716 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -19.51 35.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.615 2.21 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.484 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -105.55 179.01 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.4 t -51.99 128.45 24.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.55 -1.97 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -102.43 -66.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.9 p -90.74 -31.89 16.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 m120 73.81 33.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -97.62 -65.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -155.49 105.53 2.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -79.77 128.14 33.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.428 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 8.9 t -121.65 8.07 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' HG ' ' C ' ' A' ' 19' ' ' THR . 5.3 mt -150.19 150.44 31.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 49' ' ' THR . 17.2 ttt85 -125.34 108.59 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.5 t -80.98 125.85 30.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.96 -36.24 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.46 -18.65 73.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.76 28.66 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 68.47 44.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.06 31.9 74.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -71.27 125.68 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 52' ' ' TYR . 63.2 mt -79.43 120.41 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -117.7 166.14 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 p -99.74 -172.07 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.25 -6.97 59.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 4.6 tmt_? -103.61 -78.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.517 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.7 m -41.33 -28.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.599 ' CZ ' HG23 ' A' ' 49' ' ' THR . 59.3 t80 -82.23 -58.33 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -66.02 -7.23 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -97.71 -40.95 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.548 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -107.57 -38.98 1.98 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.502 ' CG ' ' CD1' ' A' ' 35' ' ' PHE . 51.9 m80 -84.33 44.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' N ' HD21 ' A' ' 44' ' ' LEU . 3.8 t70 -134.65 -0.49 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -133.07 -27.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.437 ' N ' HD23 ' A' ' 44' ' ' LEU . 6.9 t80 -67.64 -175.16 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -74.72 45.49 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.456 HD21 ' N ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -59.73 -11.08 4.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -19.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 48' ' ' GLN . 38.5 mt-10 -114.24 -33.97 5.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -57.48 86.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 46' ' ' GLU . 71.5 mm-40 -81.98 112.02 18.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.599 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 7.7 p -95.7 179.89 4.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -161.2 156.86 21.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 80.24 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.565 ' CE2' HD12 ' A' ' 29' ' ' LEU . 87.0 t80 -65.0 152.95 42.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -131.59 94.64 25.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.15 17.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -87.76 15.23 7.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.49 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -72.8 -59.8 2.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.9 Cg_endo -69.75 100.77 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.3 t -95.01 45.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -172.03 133.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -135.48 137.82 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -113.35 111.13 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.0 p -49.98 130.45 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.58 175.72 54.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 151.71 69.4 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.631 2.221 . . . . 0.0 112.378 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.9 m -114.39 -59.28 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.0 p -74.37 138.81 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.456 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 p -69.18 -52.48 27.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -49.08 159.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.28 -96.33 0.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -62.49 117.56 6.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -92.34 74.02 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.48 100.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.56 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 96.4 mt -43.93 153.94 0.39 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -20.93 33.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.355 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.56 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -105.3 176.07 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 t -46.2 126.79 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -66.33 -2.83 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -101.64 -64.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.41 -28.46 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.535 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.3 m120 68.05 35.1 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.56 -57.2 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.45 105.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -80.56 127.0 31.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 p -116.91 -4.52 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -136.98 153.35 50.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -129.68 103.31 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.423 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 38.7 t -72.73 125.57 27.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.65 -38.99 38.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.63 -19.96 69.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.7 m -102.23 25.84 8.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.7 t0 69.87 43.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 62.21 29.62 73.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -63.68 119.8 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 52' ' ' TYR . 32.8 mt -75.48 116.95 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -117.13 173.93 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -104.83 -172.84 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.12 -6.01 59.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.545 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -104.39 -78.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.545 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 57.5 m -40.57 -39.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CZ ' HG23 ' A' ' 49' ' ' THR . 64.4 t80 -63.87 -57.11 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 14.5 mtp-105 -65.63 -5.89 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.18 -42.87 10.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.525 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -111.17 -37.2 1.69 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.512 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' PHE . 59.7 m80 -84.68 43.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -135.03 0.18 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -133.96 -29.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.477 ' N ' HD22 ' A' ' 44' ' ' LEU . 4.6 t80 -64.76 -174.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.94 41.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -50.97 -20.81 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -40.56 -27.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' LEU . 27.9 mm-40 -103.2 -33.89 9.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -63.93 93.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -92.92 103.94 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.569 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 10.0 p -84.92 171.49 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 m -144.44 158.09 54.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 82.9 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CE2' HD12 ' A' ' 29' ' ' LEU . 59.1 t80 -82.83 143.87 30.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -134.87 94.55 16.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 110.841 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 2.87 3.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 61.38 25.62 15.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.54 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 4.9 tpt180 -90.44 -65.36 0.16 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.567 0.699 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 56' ' ' ARG . 53.7 Cg_endo -69.76 -163.67 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 76.3 m 52.17 44.19 29.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -82.39 169.17 16.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -117.83 126.8 53.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -161.94 166.62 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.1 m -127.58 139.15 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 156.35 81.38 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 171.24 14.8 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.301 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.8 p -160.43 117.77 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.1 m -148.3 144.1 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.481 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 3' ' ' SER . 71.2 m -91.37 40.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.872 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 2' ' ' SER . 6.0 t 36.71 41.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.15 57.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -61.11 -44.8 96.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p 47.77 47.92 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.63 160.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.9 mt -151.39 158.34 34.46 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.572 0.701 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -27.0 26.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.64 178.59 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 t -52.92 124.03 13.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -63.58 -6.33 5.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.1 -66.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 p -92.47 -32.63 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 74.45 32.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -95.33 -61.81 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -162.45 105.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -79.34 131.18 36.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.29 2.83 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -142.0 149.41 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -124.72 104.44 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.88 125.06 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.9 -36.74 41.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.93 -16.11 72.26 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.4 m -105.47 30.17 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.9 t0 66.0 38.78 4.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.47 27.34 73.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -63.89 126.66 28.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.563 HD12 ' CE2' ' A' ' 52' ' ' TYR . 50.2 mt -80.62 125.51 30.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -124.37 169.04 12.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.6 p -102.66 -172.32 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.69 -6.82 59.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.482 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 3.0 tmt_? -103.77 -78.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.482 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 38.3 m -42.93 -27.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 49' ' ' THR . 49.5 t80 -79.63 -60.61 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -65.1 -15.05 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.515 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -89.13 -44.4 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' CA ' ' OE2' ' A' ' 37' ' ' GLU . . . -98.68 -45.54 2.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 35' ' ' PHE . 68.0 m80 -82.46 42.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.819 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -131.11 6.91 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.669 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -135.01 -48.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.669 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 5.7 t80 -51.32 -174.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.64 43.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD22 ' C ' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -52.11 -16.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -44.47 -23.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -106.38 -36.42 6.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -58.58 88.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -82.92 115.99 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.564 HG23 ' CZ ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -96.91 174.96 6.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 p -152.34 152.17 28.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 85.17 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.563 ' CE2' HD12 ' A' ' 29' ' ' LEU . 87.7 t80 -87.62 136.62 32.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 5.9 p80 -134.25 97.79 14.55 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.68 18.34 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.496 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.8 ptp180 -47.56 125.14 7.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' ARG . 55.1 mtm180 -30.6 94.36 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.78 -48.03 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.8 t -144.54 156.14 44.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -94.45 -45.61 7.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -53.04 133.3 38.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -86.24 148.59 25.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -140.23 121.4 14.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.03 157.84 34.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.8 p -45.15 168.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 t -91.81 151.64 20.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.522 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -131.56 150.95 51.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 m -98.47 -47.59 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.69 39.0 11.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -149.39 123.68 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -129.74 138.13 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.74 72.94 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.433 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 24.2 mt -62.41 152.21 80.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.725 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -26.02 27.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.433 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -97.17 177.7 5.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.469 ' N ' ' HB3' ' A' ' 18' ' ' ALA . 36.4 t -49.44 127.88 16.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.35 -2.13 5.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -102.08 -65.66 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 p -93.23 -30.06 15.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 m120 71.27 34.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.83 -63.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -156.39 104.99 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.469 ' HB3' ' N ' ' A' ' 11' ' ' CYS . . . -82.06 128.79 34.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 t -122.63 8.23 9.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -148.18 151.07 34.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -128.58 105.75 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.7 t -75.59 126.74 31.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.13 -37.56 33.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.21 -20.17 72.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m -101.47 27.32 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 67.61 45.17 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.3 34.19 87.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -68.93 121.46 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.7 mt -77.66 116.56 18.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -117.44 167.38 11.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.3 p -98.21 -172.54 2.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.91 -7.03 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.24 -79.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.501 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 61.0 m -38.16 -29.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.581 ' CE1' HG22 ' A' ' 49' ' ' THR . 82.1 t80 -80.94 -55.41 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -63.39 -16.75 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 38' ' ' GLY . 2.9 pt-20 -89.43 -42.57 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.481 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -98.84 -48.37 1.78 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.494 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 73.6 m80 -79.05 44.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.32 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -130.81 0.38 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -134.93 -40.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.44 ' N ' HD21 ' A' ' 44' ' ' LEU . 1.6 t80 -51.91 -173.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.48 ' CB ' ' HE2' ' A' ' 45' ' ' LYS . 1.4 m-20 -79.02 38.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -44.21 -26.76 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.48 ' HE2' ' CB ' ' A' ' 43' ' ' ASP . 18.3 pttt -39.29 -25.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 44' ' ' LEU . 82.3 mt-10 -105.01 -35.79 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -64.78 91.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -88.32 100.4 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.581 HG22 ' CE1' ' A' ' 35' ' ' PHE . 4.0 p -80.66 175.33 10.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 t -147.71 150.95 37.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.699 0.762 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 80.08 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 53' ' ' HIS . 75.4 t80 -79.2 166.62 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.501 ' N ' ' CG ' ' A' ' 52' ' ' TYR . 8.5 p80 -165.37 105.45 0.76 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.602 0.715 . . . . 0.0 110.848 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -169.42 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -54.95 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttp-105 -134.29 85.86 37.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.706 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -1.58 8.7 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.0 t 49.12 39.4 15.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -81.25 80.88 7.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' OE2' ' CD2' ' A' ' 61' ' ' HIS . 3.0 pp20? -82.15 -41.94 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.449 ' CD2' ' OE2' ' A' ' 60' ' ' GLU . 80.7 m-70 -50.44 108.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 t -84.32 -46.45 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.29 73.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 164.33 34.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.3 t -121.38 -56.33 1.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.5 m -84.3 169.78 14.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.486 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 m -106.54 171.81 7.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 p -88.7 42.48 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 147.94 -53.37 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.431 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m -52.8 91.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 4' ' ' GLY . 14.8 m -94.47 34.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.55 119.9 4.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.502 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 92.1 mt -70.11 153.65 95.17 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.63 0.729 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -16.25 37.51 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.502 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -113.76 177.11 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' ASN . 35.8 t -48.6 125.71 10.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.76 -4.96 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -98.96 -64.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.2 p -94.55 -30.07 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.481 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 8.8 m120 69.18 37.89 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 17' ' ' ASP . 3.1 pp20? -101.85 -52.86 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 22.7 t0 -165.93 105.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -81.51 125.69 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.417 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 8.7 t -118.97 10.02 12.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HG ' ' C ' ' A' ' 19' ' ' THR . 7.1 mt -150.13 151.71 33.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -129.98 105.73 8.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.47 125.31 28.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.78 -35.75 43.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.34 -19.03 75.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.2 m -103.88 31.38 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 63.12 47.26 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.55 38.85 92.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -73.08 120.43 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.472 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 36.9 mt -75.2 123.89 26.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.18 172.06 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.1 p -102.04 -172.83 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.25 -6.37 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.153 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.59 -78.18 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.471 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 63.6 m -38.28 -38.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 39' ' ' HIS . 72.1 t80 -65.95 -57.54 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.7 mmm-85 -61.52 -15.35 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.14 -49.32 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.551 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -103.83 -40.91 2.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 35' ' ' PHE . 57.6 m80 -82.24 42.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.409 ' N ' HD23 ' A' ' 44' ' ' LEU . 4.6 t70 -134.64 -2.1 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -134.44 -23.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.449 ' C ' HD22 ' A' ' 44' ' ' LEU . 5.4 t80 -69.09 -174.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.46 40.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.497 HD12 ' CD2' ' A' ' 39' ' ' HIS . 1.2 mm? -54.08 -14.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -47.11 -20.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -113.42 -28.49 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -67.19 87.74 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -85.45 102.72 13.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.499 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 1.1 p -80.23 171.38 15.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.3 p -145.13 152.66 51.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 80.36 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.458 ' CE2' HD11 ' A' ' 29' ' ' LEU . 75.3 t80 -75.49 155.24 36.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -138.98 105.88 7.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.544 0.687 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -165.57 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -78.01 -49.88 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -113.3 65.72 1.07 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.59 0.71 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.16 33.92 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.4 p -71.44 -40.28 70.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' CYS . 28.7 tt0 -36.82 97.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 58' ' ' CYS . 39.9 mt-10 -74.25 141.28 45.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -123.09 42.08 3.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.1 m -42.34 -57.0 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -43.09 125.61 4.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -14.71 36.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.337 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -110.87 167.74 10.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.3 p -102.4 174.41 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.466 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -122.17 141.43 51.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m 54.47 44.8 28.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.97 -144.48 21.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -93.9 103.23 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 m -91.69 152.72 20.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.75 102.3 2.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.494 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 70.4 mt -146.3 153.34 48.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.626 0.727 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.31 35.98 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.494 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -115.44 175.35 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.5 t -45.79 125.23 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.73 -2.99 4.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -100.56 -64.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.65 -29.51 14.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 3.1 m120 70.44 33.54 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -94.94 -62.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.72 105.13 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -77.82 129.83 35.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -122.31 0.45 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt -142.72 151.11 40.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 58.0 ttt-85 -128.38 101.52 6.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.22 128.52 36.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.17 -36.54 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.44 -18.29 75.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.9 m -102.97 27.37 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 65.26 44.11 3.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.468 ' HA3' ' CZ ' ' A' ' 21' ' ' ARG . . . 66.23 27.67 73.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.609 ' CG ' ' CE2' ' A' ' 30' ' ' TYR . 14.8 t0 -61.8 114.66 3.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 41.8 mt -73.36 122.18 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 28' ' ' ASP . 44.8 m-85 -123.05 170.91 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 p -102.36 -172.27 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.05 -7.46 58.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.93 -78.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.1 m -40.67 -41.43 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.542 ' CZ ' HG22 ' A' ' 49' ' ' THR . 77.6 t80 -61.08 -61.21 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 11.4 mtp-105 -60.81 -9.66 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.45 -41.08 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.31 -43.47 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.523 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 55.9 m80 -78.64 43.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -133.58 1.52 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.537 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -132.23 -43.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.537 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 3.3 t80 -51.64 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -77.68 41.07 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.525 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -47.22 -23.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.72 -27.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 47' ' ' HIS . 8.6 pt-20 -103.1 -33.02 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.473 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 18.7 m-70 -64.59 100.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -95.21 107.11 19.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.542 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 4.8 p -87.1 173.24 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.7 m -150.23 152.84 34.21 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.703 0.763 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 81.31 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -92.25 143.04 26.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -146.39 114.17 4.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 165.16 31.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.362 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -103.55 14.42 31.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -81.83 -60.79 0.39 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 54.1 Cg_endo -69.74 129.08 16.99 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.622 2.215 . . . . 0.0 112.387 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 53.2 t -148.1 123.23 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -171.43 141.7 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -96.17 116.21 28.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 62' ' ' SER . 2.5 t-80 -73.11 155.19 39.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 30.1 m -150.34 120.64 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.76 95.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 104.53 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.4 p -102.96 -39.4 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.0 m 58.0 44.82 18.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.516 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -94.91 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.8 p -147.05 119.22 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -39.54 -78.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.53 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.0 m -33.92 133.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.813 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -83.25 -54.54 4.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.36 143.46 9.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.514 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 38.6 mt -111.04 155.92 41.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.708 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -19.81 35.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.514 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -111.12 176.87 4.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.4 t -48.9 128.41 15.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.69 -1.96 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mm -102.05 -64.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 p -93.48 -30.56 14.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 m120 70.39 33.1 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -96.6 -63.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -155.76 105.24 2.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.79 132.35 35.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.4 p -122.28 -1.88 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt -140.29 154.48 46.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -131.09 105.26 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 48.7 t -71.17 124.39 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.09 -36.91 40.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.98 -18.75 74.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 m -102.38 26.84 7.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t0 69.4 41.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 65.41 31.02 78.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.536 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.06 121.02 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.511 HD13 ' CE2' ' A' ' 52' ' ' TYR . 66.5 mt -77.01 117.28 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -118.57 173.02 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 p -105.19 -172.05 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.37 -10.91 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -100.01 -77.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.2 m -40.68 -40.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.588 ' CZ ' HG21 ' A' ' 49' ' ' THR . 62.8 t80 -63.95 -57.08 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -66.14 -4.36 7.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -96.11 -38.92 9.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.531 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -109.92 -39.4 1.57 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CD2' HD13 ' A' ' 44' ' ' LEU . 65.1 m80 -85.93 45.2 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.778 0.323 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -134.98 1.28 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -133.94 -29.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.408 ' C ' HD21 ' A' ' 44' ' ' LEU . 2.8 t80 -66.7 -175.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.84 42.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.529 HD13 ' CD2' ' A' ' 39' ' ' HIS . 1.3 mm? -52.68 -16.32 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -44.03 -22.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 44' ' ' LEU . 25.3 mt-10 -110.15 -31.31 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -65.91 89.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -88.34 114.14 24.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.588 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 21.7 p -94.38 171.95 8.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 p -144.35 156.17 57.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 79.9 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.511 ' CE2' HD13 ' A' ' 29' ' ' LEU . 73.0 t80 -81.98 161.4 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -164.63 112.31 0.88 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 56' ' ' ARG . 53.6 Cg_endo -69.76 -0.03 6.32 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.393 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 54' ' ' PRO . 26.0 ptt180 39.01 25.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.554 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 25.8 tpt85 -77.51 -56.31 1.18 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.2 Cg_endo -69.82 111.66 2.88 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.2 t -65.14 121.32 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -53.64 94.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.61 138.56 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -42.24 141.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m -97.81 81.33 2.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.97 130.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 54.4 Cg_endo -69.76 -176.37 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' PRO . 1.5 t -36.04 -44.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.3 p -126.62 140.1 52.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.517 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.111 0 CA-C-O 120.775 0.24 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.541 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -109.08 176.06 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.425 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 38.3 t -45.3 128.79 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.6 t -67.51 -2.25 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.433 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.4 mm -102.26 -65.38 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 p -93.12 -30.06 15.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.541 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 7.8 m-80 69.18 35.58 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 10.7 pt-20 -100.56 -52.36 3.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.48 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 21.0 t0 -165.31 107.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -84.09 127.52 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.756 HG23 ' HG ' ' A' ' 20' ' ' LEU . 12.2 t -120.38 7.6 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.756 ' HG ' HG23 ' A' ' 19' ' ' THR . 5.8 mt -148.39 154.66 40.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -132.45 108.23 9.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 t -77.84 124.11 27.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.08 -33.91 44.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.64 -20.29 78.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 m -101.04 26.87 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.8 t70 69.99 42.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.07 33.11 84.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.2 118.28 12.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.473 HD22 ' CG ' ' A' ' 52' ' ' TYR . 20.6 mt -74.01 123.1 23.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -122.77 172.6 8.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.8 p -103.09 -172.47 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.26 -8.16 58.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.23 -78.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.9 m -40.51 -37.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.463 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 68.9 t80 -65.78 -64.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -57.98 -11.57 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -77.88 -51.15 10.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.29 -36.84 2.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.463 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 61.9 m-70 -78.38 40.23 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -134.92 5.53 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -133.93 -44.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.445 ' O ' HD22 ' A' ' 44' ' ' LEU . 5.3 t80 -52.73 -172.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.85 39.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.449 HD22 ' H ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -49.8 -19.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -42.22 -23.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' GLN . 49.6 mm-40 -107.5 -37.28 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -58.61 78.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' GLU . 45.3 mm-40 -74.49 111.25 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 p -92.69 165.78 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.1 m -140.9 153.3 67.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.713 0.768 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 81.18 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.748 2.298 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.473 ' CG ' HD22 ' A' ' 29' ' ' LEU . 75.0 t80 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.791 0.246 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.99 177.27 6.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ASN . 37.8 t -55.4 124.75 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.5 t -65.12 -2.74 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.433 HG21 ' SG ' ' A' ' 34' ' ' CYS . 4.6 mm -99.86 -62.08 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 4.8 p -97.48 -24.93 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' CYS . 1.8 m-80 65.07 35.04 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -98.97 -63.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -159.15 105.11 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -77.92 130.03 36.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.445 HG23 ' HG ' ' A' ' 20' ' ' LEU . 1.8 t -121.37 7.86 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HG ' HG23 ' A' ' 19' ' ' THR . 9.3 mt -149.81 152.2 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -128.9 105.94 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HA ' HG22 ' A' ' 49' ' ' THR . 35.1 t -77.29 124.58 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.65 49.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.2 -20.97 71.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.9 m -102.39 32.31 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 63.27 45.77 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.5 34.17 79.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.425 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 18.9 m-20 -69.29 116.61 9.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.445 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 32.6 mt -72.4 117.22 13.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 28' ' ' ASP . 49.9 m-85 -118.22 171.2 8.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.9 p -101.83 -173.0 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.76 -7.82 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.67 -78.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.492 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 56.2 m -40.8 -37.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 39' ' ' HIS . 65.2 t80 -65.35 -61.51 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 49.0 mmm-85 -58.45 -21.1 50.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -72.28 -53.14 13.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.8 -44.1 1.99 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' PHE . 48.6 m80 -78.08 41.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 30.5 t70 -133.83 7.1 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 41' ' ' ASN . 0.3 OUTLIER -134.95 -48.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.779 ' O ' HD22 ' A' ' 44' ' ' LEU . 7.2 t80 -50.44 -176.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -75.3 46.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.779 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -55.1 -15.44 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -45.4 -25.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLN . 50.2 mt-10 -104.9 -35.19 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -59.28 77.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.7 mm-40 -70.74 116.68 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.448 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 1.4 p -102.53 165.21 11.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.2 m -140.14 152.81 68.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.695 0.76 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 85.38 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.9 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.784 0.243 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.565 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -102.29 175.68 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.9 t -44.32 128.66 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.93 -0.6 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.449 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.6 mm -103.35 -62.29 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 p -96.88 -30.5 13.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.565 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.0 m-80 69.88 38.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 15.6 pt-20 -102.94 -50.23 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.498 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 5.9 m-20 -167.78 107.69 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.69 128.8 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 p -119.8 -2.62 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -141.31 154.82 45.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.4 ttt85 -130.11 105.71 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.5 t -75.15 126.66 31.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.42 -37.96 31.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.14 -20.19 72.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 m -100.99 26.06 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.2 t0 68.21 45.82 1.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.72 35.28 89.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -70.88 117.56 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.613 HD22 ' CD2' ' A' ' 52' ' ' TYR . 30.6 mt -73.4 119.3 17.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -119.56 169.86 9.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.9 p -100.31 -172.53 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.25 -4.74 59.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.539 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.54 -78.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.539 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 60.4 m -39.42 -38.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 39' ' ' HIS . 64.4 t80 -66.22 -59.23 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -62.09 -13.59 28.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -84.29 -47.4 10.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.65 -42.1 1.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' PHE . 63.9 m-70 -79.59 42.49 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 6.1 t70 -132.31 1.12 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -134.6 -41.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.642 ' O ' HD22 ' A' ' 44' ' ' LEU . 7.2 t80 -51.91 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.57 45.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.642 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -59.46 -18.62 41.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.18 -21.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' GLN . 13.9 mm-40 -111.65 -36.87 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -55.27 86.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' GLU . 62.9 mm-40 -79.75 114.48 18.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -97.62 171.67 8.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.7 m -148.5 155.27 42.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.613 ' CD2' HD22 ' A' ' 29' ' ' LEU . 68.6 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.829 0.262 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.494 ' NE1' ' OD1' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -104.91 -179.85 4.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.493 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 49.6 t -54.22 133.51 44.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.47 3.94 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.442 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.3 mm -109.52 -62.25 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 p -95.24 -27.2 15.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.494 ' OD1' ' NE1' ' A' ' 10' ' ' TRP . 2.2 m-80 64.2 39.52 7.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 24.6 pt-20 -103.98 -52.65 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 1.2 p30 -168.74 105.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -76.84 129.08 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.6 p -117.68 0.24 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 31' ' ' CYS . 4.3 mt -145.08 152.25 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -127.99 108.95 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.1 t -77.77 126.71 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.76 -37.31 30.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.36 -20.2 75.04 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 m -101.08 27.75 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.53 48.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.28 32.64 68.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.97 122.64 18.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.511 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 58.4 mt -79.99 115.74 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -115.9 171.3 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.43 ' O ' HD12 ' A' ' 20' ' ' LEU . 26.1 p -103.09 -171.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.16 -7.5 58.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.54 -79.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.2 m -38.21 -37.83 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 73.6 t80 -67.28 -64.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 36' ' ' ARG . 3.7 ptm85 -55.96 -15.07 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -79.3 -49.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.79 -41.79 1.79 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 62.0 m-70 -77.55 42.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -132.51 3.99 3.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 42' ' ' PHE . 2.6 p-10 -134.41 -44.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.65 ' O ' HD22 ' A' ' 44' ' ' LEU . 2.5 t80 -51.04 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -78.04 40.84 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.769 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.5 mm? -48.08 -26.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' CD ' ' HG3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -37.98 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HG3' ' CD ' ' A' ' 45' ' ' LYS . 10.9 mt-10 -102.59 -35.88 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' LEU . 16.8 m-70 -62.08 74.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' GLU . 40.5 mm-40 -67.59 100.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.1 p -79.3 -177.51 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.202 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.26 145.0 11.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.699 0.762 . . . . 0.0 110.842 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 79.44 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.379 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.3 t80 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.908 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.774 0.239 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.51 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -101.7 177.53 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.2 t -46.4 132.42 10.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -71.71 1.5 6.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mm -106.17 -63.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 p -94.6 -32.29 13.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.51 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.6 m120 72.0 35.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 15.6 pt-20 -98.87 -53.14 3.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 1.1 p30 -168.05 105.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -76.52 134.17 39.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.9 p -122.55 -4.41 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -141.32 155.44 45.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -130.78 108.26 9.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.07 124.21 27.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.93 -31.88 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.03 -15.38 81.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 m -105.74 27.21 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 69.48 40.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.92 34.33 89.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -68.85 120.65 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.53 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 60.9 mt -76.44 118.65 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -119.9 166.71 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.8 p -97.86 -172.46 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.44 -7.11 59.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -104.74 -78.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.4 m -38.93 -35.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' HIS . 76.8 t80 -69.64 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -59.72 -10.25 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -83.2 -49.37 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.61 -38.54 2.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 35' ' ' PHE . 58.0 m-70 -78.83 41.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -133.86 3.69 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -133.38 -44.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.663 ' O ' HD22 ' A' ' 44' ' ' LEU . 5.3 t80 -52.16 -174.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.22 44.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -55.83 -13.95 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -20.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' GLN . 14.1 mm-40 -111.84 -34.46 6.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -60.35 83.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 46' ' ' GLU . 93.2 mm-40 -78.32 117.29 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -100.61 -178.84 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -163.96 157.2 15.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.2 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.403 ' CG ' HD22 ' A' ' 29' ' ' LEU . 84.2 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.769 0.237 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.506 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -107.15 179.03 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -49.44 132.02 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.19 0.75 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mm -106.23 -66.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -92.5 -30.17 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.506 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.7 m120 70.75 33.21 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -94.54 -58.1 2.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -163.38 105.08 0.97 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.564 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -78.54 127.98 32.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 p -119.2 -1.05 10.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -140.84 152.11 44.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -128.77 106.26 8.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.45 ' HA ' HG22 ' A' ' 49' ' ' THR . 38.1 t -75.36 126.33 30.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.22 34.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.72 -20.22 70.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -102.47 30.3 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 63.79 47.87 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.82 38.18 91.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' CG ' ' CE2' ' A' ' 30' ' ' TYR . 19.7 t0 -71.05 120.82 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.564 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 37.3 mt -77.28 115.66 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.466 ' CE2' ' CG ' ' A' ' 28' ' ' ASP . 40.5 m-85 -117.19 171.18 8.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -102.72 -172.16 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.96 -4.03 59.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 1.8 tmt_? -107.28 -78.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.6 m -39.96 -37.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 65.3 t80 -65.92 -56.7 10.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -65.79 -7.14 14.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -88.95 -40.78 12.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.76 -38.34 1.19 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.5 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 67.8 m-70 -83.52 44.25 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -134.43 -2.59 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.53 -29.07 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.719 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.7 t80 -65.56 -175.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -75.0 43.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -57.75 -12.6 3.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -50.26 -17.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' GLN . 28.0 mt-10 -116.41 -32.01 5.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -59.71 76.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' GLU . 18.6 mm-40 -71.79 100.46 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 22' ' ' CYS . 1.7 p -78.87 179.01 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m -150.04 147.06 21.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.663 0.744 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 80.26 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.912 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.764 0.235 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.472 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -110.38 179.71 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.502 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 49.4 t -50.59 129.6 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.3 t -68.2 -1.83 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.422 HG21 ' SG ' ' A' ' 34' ' ' CYS . 3.9 mm -102.64 -66.2 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 p -91.26 -31.32 16.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.429 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.5 m120 71.1 33.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -98.58 -65.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -152.03 105.2 3.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.502 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -81.65 129.85 34.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 1.6 t -124.08 12.05 8.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' C ' ' A' ' 19' ' ' THR . 12.1 mt -150.2 155.79 40.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -134.11 105.69 6.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 37.3 t -76.57 125.35 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.7 -33.58 35.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.61 78.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.536 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m -102.21 25.85 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 70.96 41.77 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.401 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 65.31 26.22 71.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -63.66 121.57 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.691 HD13 ' CE1' ' A' ' 52' ' ' TYR . 61.0 mt -78.59 125.39 29.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -124.12 172.71 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.8 p -104.31 -172.63 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.31 -7.66 58.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.544 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -101.91 -79.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 58.4 m -40.77 -41.03 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 57.1 t80 -61.14 -62.22 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -61.57 -8.98 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.69 -39.21 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.19 -44.76 1.06 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.506 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 70.8 m-70 -78.88 43.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -130.75 4.26 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 42' ' ' PHE . 2.7 p-10 -134.8 -46.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.716 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.6 t80 -50.35 -177.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -77.52 43.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.777 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.5 mm? -51.33 -16.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -43.21 -25.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.68 -38.91 6.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -57.0 94.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -90.03 107.78 19.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.0 p -89.35 168.3 12.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -148.13 157.78 42.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 89.91 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.392 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.691 ' CE1' HD13 ' A' ' 29' ' ' LEU . 34.6 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 CA-C-O 120.779 0.241 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.511 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -107.6 174.9 5.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 34.6 t -44.65 126.54 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.16 -3.04 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -101.47 -65.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 p -94.22 -28.76 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.511 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.3 m-80 68.03 36.45 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -101.04 -56.51 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -159.92 104.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.76 119.81 24.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.748 HG23 ' HG ' ' A' ' 20' ' ' LEU . 14.6 t -112.05 8.15 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.748 ' HG ' HG23 ' A' ' 19' ' ' THR . 9.0 mt -150.03 155.22 39.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -130.45 110.49 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.65 123.61 26.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.08 -33.23 39.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.75 -21.62 79.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -97.86 26.28 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 68.69 42.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.22 34.38 87.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -72.19 115.69 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 52' ' ' TYR . 13.6 mt -74.14 122.72 23.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -121.91 169.45 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.36 -172.19 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.69 -8.46 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.482 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 1.4 tmt_? -101.18 -78.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.482 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 56.9 m -40.93 -38.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.592 ' CZ ' HG21 ' A' ' 49' ' ' THR . 61.2 t80 -65.32 -63.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -59.64 -11.62 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -84.48 -47.93 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.8 -40.62 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' PHE . 57.9 m-70 -78.43 41.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -133.92 4.02 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -134.34 -43.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.491 ' O ' HD22 ' A' ' 44' ' ' LEU . 4.6 t80 -52.37 -172.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -77.38 39.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.502 HD22 ' H ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -50.29 -20.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.48 -22.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . 14.8 mm-40 -108.7 -36.78 6.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -60.41 85.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -80.35 111.27 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.592 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 2.9 p -86.88 171.46 10.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.4 m -148.57 153.84 40.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 91.76 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CD2' HD22 ' A' ' 29' ' ' LEU . 65.4 t80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.801 0.25 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.5 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -102.84 177.37 4.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.413 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 42.0 t -47.75 129.31 13.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.8 -1.31 5.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -104.07 -65.97 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -92.57 -29.01 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 3.0 m120 68.48 34.16 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -98.12 -58.08 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -160.0 105.06 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -80.16 121.25 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.724 HG23 ' HG ' ' A' ' 20' ' ' LEU . 11.5 t -113.9 9.72 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.724 ' HG ' HG23 ' A' ' 19' ' ' THR . 7.9 mt -150.92 155.15 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -132.97 106.62 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.4 t -75.43 124.76 27.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.58 -33.73 35.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.8 -19.05 79.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.526 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -101.25 26.4 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.8 t70 69.66 41.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.76 30.87 78.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.05 116.64 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.601 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 49.4 mt -73.5 131.23 41.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -131.04 169.87 15.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -100.2 -172.21 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.97 -8.2 58.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.38 -78.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.524 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 60.5 m -38.33 -38.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 70.3 t80 -66.47 -61.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -57.07 -18.1 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.08 -51.81 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.26 -39.38 1.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.545 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 57.6 m-70 -76.67 41.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.842 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -134.97 0.78 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -134.31 -42.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.636 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.7 t80 -51.05 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.469 ' CB ' ' HE3' ' A' ' 45' ' ' LYS . 93.8 m-20 -75.9 42.35 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -53.19 -15.57 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HE3' ' CB ' ' A' ' 43' ' ' ASP . 10.9 pttp -46.35 -21.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -110.18 -30.94 7.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -67.66 89.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.785 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -85.43 111.33 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -93.32 172.17 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -150.81 156.27 35.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.693 0.759 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 84.17 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.788 0.245 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.535 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -105.04 177.73 4.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.7 t -48.27 128.66 14.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -66.91 -2.43 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.478 HG21 ' SG ' ' A' ' 34' ' ' CYS . 3.6 mm -102.25 -66.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 p -92.74 -28.95 16.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.535 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 4.6 m-80 68.64 36.07 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -98.94 -57.24 2.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -161.25 105.41 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.42 123.22 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.697 HG23 ' HG ' ' A' ' 20' ' ' LEU . 8.6 t -117.07 7.93 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.697 ' HG ' HG23 ' A' ' 19' ' ' THR . 5.7 mt -149.14 151.58 34.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -128.4 107.33 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.52 ' HA ' HG22 ' A' ' 49' ' ' THR . 48.0 t -76.51 125.01 28.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.86 -38.87 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.72 -19.02 70.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.447 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -103.18 27.8 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 68.58 46.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 58.01 30.57 63.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -64.88 126.2 27.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.53 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 59.2 mt -80.41 118.77 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -118.52 177.29 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.9 p -111.06 -174.11 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.58 -9.19 59.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.652 ' CD ' ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -100.95 -81.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.478 ' SG ' HG21 ' A' ' 13' ' ' ILE . 57.0 m -39.12 -36.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' HIS . 71.4 t80 -68.81 -61.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 8.8 ptm180 -59.03 -14.35 9.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' CG ' ' HD2' ' A' ' 33' ' ' ARG . 18.6 mm-40 -78.33 -51.15 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.73 -38.85 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' PHE . 67.4 m-70 -79.35 40.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 110.827 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -134.01 3.61 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.411 ' CG ' ' N ' ' A' ' 42' ' ' PHE . 2.5 p-10 -132.64 -47.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.735 ' O ' HD22 ' A' ' 44' ' ' LEU . 6.6 t80 -50.48 -178.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -75.6 47.45 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -56.47 -13.62 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -19.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -112.96 -19.76 11.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -75.88 48.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -48.7 106.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 22' ' ' CYS . 1.1 p -85.43 173.84 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 t -140.98 148.71 53.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 80.46 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.754 0.231 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.36 169.65 9.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.49 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.2 t -46.54 127.77 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.8 t -67.68 -1.74 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.429 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.9 mm -101.02 -65.7 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 p -92.49 -29.63 16.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 4.1 m120 71.49 35.27 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -100.04 -54.17 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -168.5 109.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -88.23 124.18 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.604 HG23 ' HG ' ' A' ' 20' ' ' LEU . 6.0 t -115.67 11.03 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.604 ' HG ' HG23 ' A' ' 19' ' ' THR . 6.9 mt -146.22 149.45 33.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -126.29 107.31 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.8 t -78.2 123.99 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.68 -36.95 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.25 -20.7 73.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 3.6 m -100.51 31.64 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 12.9 m-20 64.47 38.78 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.77 30.72 72.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -70.48 121.48 17.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.664 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 84.4 mt -77.38 132.97 38.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -129.25 176.55 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -107.71 -171.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.6 -7.63 58.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.53 -78.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.516 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 60.6 m -40.7 -37.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 39' ' ' HIS . 67.4 t80 -66.92 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -59.2 -11.28 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.54 -49.83 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.5 -39.15 2.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' PHE . 55.9 m-70 -78.47 40.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -133.48 3.71 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -133.0 -44.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.622 ' O ' HD22 ' A' ' 44' ' ' LEU . 4.8 t80 -52.08 -174.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.29 42.96 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.622 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -53.84 -18.31 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -43.41 -22.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLN . 17.2 mm-40 -109.23 -36.92 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -57.48 83.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' GLU . 38.3 mm-40 -78.72 109.45 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 p -90.16 -179.54 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.5 p -163.26 153.51 13.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 85.24 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.664 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 84.7 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 CA-C-O 120.813 0.255 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.54 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -111.27 177.55 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.413 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.8 t -47.55 127.09 10.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.5 t -66.23 -3.14 5.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mm -101.89 -62.65 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 p -95.77 -28.22 14.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.54 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 3.0 m-80 66.32 37.36 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 10.4 pt-20 -103.88 -51.44 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.494 ' CG ' ' O ' ' A' ' 17' ' ' ASP . 2.1 p-10 -164.12 107.15 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -85.67 121.29 28.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.704 HG23 ' HG ' ' A' ' 20' ' ' LEU . 10.1 t -113.8 9.25 17.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.704 ' HG ' HG23 ' A' ' 19' ' ' THR . 6.8 mt -150.35 148.57 28.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' THR . 6.4 ttp180 -125.14 110.48 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.23 126.28 30.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.92 -32.74 30.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.79 -18.62 79.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.6 25.56 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t0 70.05 43.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.76 35.03 91.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -72.28 123.75 23.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.568 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 17.5 mt -80.92 119.15 23.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -116.97 177.65 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' O ' HD12 ' A' ' 20' ' ' LEU . 17.8 p -109.0 -172.79 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.81 -6.58 59.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 1.7 tmt_? -104.22 -78.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.0 m -39.74 -40.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.616 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 61.9 t80 -64.31 -57.75 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -63.78 -11.99 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -86.43 -40.31 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.83 -43.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.616 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 46.5 m-70 -77.38 45.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -133.15 2.94 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 42' ' ' PHE . 2.8 p-10 -134.77 -43.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.651 ' O ' HD22 ' A' ' 44' ' ' LEU . 2.3 t80 -51.08 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.489 ' OD1' ' CG ' ' A' ' 45' ' ' LYS . 21.5 t70 -76.98 39.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.733 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.6 mm? -45.09 -21.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' CG ' ' OD1' ' A' ' 43' ' ' ASP . 10.3 ptpt -50.07 -31.67 13.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 58.0 mt-10 -95.99 -24.12 16.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -77.48 98.22 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 46' ' ' GLU . 3.8 mp0 -86.42 106.13 17.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' ARG . 1.3 p -97.64 159.68 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 m -144.53 158.75 53.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 91.81 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CD2' HD22 ' A' ' 29' ' ' LEU . 70.8 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.157 0 CA-C-O 120.805 0.252 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.27 176.55 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 33.7 t -47.11 128.34 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -68.39 -0.91 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mm -103.75 -64.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 p -93.86 -30.79 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 71.06 33.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -97.37 -63.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -157.0 105.2 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -80.53 139.77 36.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.1 p -131.08 1.43 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -142.55 149.08 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -125.64 106.09 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.5 t -76.56 126.34 30.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.71 -36.79 36.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.39 -19.91 74.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.3 m -102.75 31.21 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 62.82 49.66 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.51 37.74 68.09 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -72.12 118.71 15.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 mt -73.79 116.03 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -117.2 168.98 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.05 -173.06 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.87 -5.63 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.17 -79.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 59.1 m -40.87 -39.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 70.9 t80 -66.53 -61.83 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 3.6 ptm85 -57.62 -12.45 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -82.25 -51.53 7.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.78 -38.85 2.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 38.0 m80 -78.28 40.95 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -134.57 2.59 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' PHE . 1.9 p-10 -131.17 -42.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.718 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.1 t80 -52.56 -172.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 45' ' ' LYS . 3.3 m-20 -79.0 37.31 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -43.81 -22.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 43' ' ' ASP . 24.2 pttt -43.02 -27.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -102.24 -35.77 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -62.16 82.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -75.03 102.07 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.14 178.94 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.86 145.36 17.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 110.824 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 79.55 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.6 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.89 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.231 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.55 179.01 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.4 t -51.99 128.45 24.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.55 -1.97 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.431 HG21 ' SG ' ' A' ' 34' ' ' CYS . 6.6 mm -102.43 -66.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.9 p -90.74 -31.89 16.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 m120 73.81 33.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -97.62 -65.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -155.49 105.53 2.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -79.77 128.14 33.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.746 HG23 ' HG ' ' A' ' 20' ' ' LEU . 8.9 t -121.65 8.07 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.746 ' HG ' HG23 ' A' ' 19' ' ' THR . 5.3 mt -150.19 150.44 31.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 49' ' ' THR . 17.2 ttt85 -125.34 108.59 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.5 t -80.98 125.85 30.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.96 -36.24 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.46 -18.65 73.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.76 28.66 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 68.47 44.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.06 31.9 74.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -71.27 125.68 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.607 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 63.2 mt -79.43 120.41 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -117.7 166.14 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 p -99.74 -172.07 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.25 -6.97 59.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 4.6 tmt_? -103.61 -78.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.528 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.7 m -41.33 -28.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.502 ' CD1' ' HB2' ' A' ' 39' ' ' HIS . 59.3 t80 -82.23 -58.33 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -66.02 -7.23 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -97.71 -40.95 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -107.57 -38.98 1.98 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.502 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 70.7 m-70 -84.33 44.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -134.65 -0.49 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.07 -27.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.791 ' O ' HD22 ' A' ' 44' ' ' LEU . 6.9 t80 -67.64 -175.16 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -74.72 45.49 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -59.73 -11.08 4.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -19.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 48' ' ' GLN . 38.5 mt-10 -114.24 -33.97 5.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -57.48 86.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 46' ' ' GLU . 71.5 mm-40 -81.98 112.02 18.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.412 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 7.7 p -95.7 179.89 4.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -161.2 156.86 21.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 80.24 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 87.0 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.123 0 CA-C-O 120.786 0.244 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.536 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -105.3 176.07 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 t -46.2 126.79 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -66.33 -2.83 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -101.64 -64.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.41 -28.46 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.536 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.3 m120 68.05 35.1 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.56 -57.2 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.45 105.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -80.56 127.0 31.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 p -116.91 -4.52 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -136.98 153.35 50.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -129.68 103.31 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.609 ' HA ' HG22 ' A' ' 49' ' ' THR . 38.7 t -72.73 125.57 27.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.65 -38.99 38.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.63 -19.96 69.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.7 m -102.23 25.84 8.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.7 t0 69.87 43.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 62.21 29.62 73.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -63.68 119.8 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD13 ' CE2' ' A' ' 52' ' ' TYR . 32.8 mt -75.48 116.95 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -117.13 173.93 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -104.83 -172.84 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.12 -6.01 59.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.545 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -104.39 -78.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.545 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 57.5 m -40.57 -39.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' HIS . 64.4 t80 -63.87 -57.11 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 14.5 mtp-105 -65.63 -5.89 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.18 -42.87 10.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.17 -37.2 1.69 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.481 ' HA ' HD11 ' A' ' 44' ' ' LEU . 59.7 m80 -84.68 43.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -135.03 0.18 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.96 -29.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.842 ' O ' HD22 ' A' ' 44' ' ' LEU . 4.6 t80 -64.76 -174.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.94 41.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.842 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -50.97 -20.81 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -40.56 -27.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' LEU . 27.9 mm-40 -103.2 -33.89 9.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -63.93 93.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -92.92 103.94 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.609 HG22 ' HA ' ' A' ' 22' ' ' CYS . 10.0 p -84.92 171.49 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 m -144.44 158.09 54.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 82.9 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.621 ' CE2' HD13 ' A' ' 29' ' ' LEU . 59.1 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.466 -0.14 0 CA-C-O 120.765 0.235 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.64 178.59 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 t -52.92 124.03 13.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -63.58 -6.33 5.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.495 HG21 ' SG ' ' A' ' 34' ' ' CYS . 4.8 mm -96.1 -66.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 p -92.47 -32.63 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 74.45 32.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -95.33 -61.81 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -162.45 105.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -79.34 131.18 36.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.411 HG23 ' HG ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -123.29 2.83 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.535 HD13 ' CD2' ' A' ' 35' ' ' PHE . 4.2 mt -142.0 149.41 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -124.72 104.44 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.88 125.06 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.9 -36.74 41.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.93 -16.11 72.26 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.4 m -105.47 30.17 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.9 t0 66.0 38.78 4.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.47 27.34 73.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -63.89 126.66 28.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.589 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 50.2 mt -80.62 125.51 30.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -124.37 169.04 12.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.6 p -102.66 -172.32 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.69 -6.82 59.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 3.0 tmt_? -103.77 -78.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 38.3 m -42.93 -27.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.694 ' CZ ' HG21 ' A' ' 49' ' ' THR . 49.5 t80 -79.63 -60.61 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -65.1 -15.05 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.515 ' CD ' ' C ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -89.13 -44.4 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' CA ' ' OE2' ' A' ' 37' ' ' GLU . . . -98.68 -45.54 2.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 35' ' ' PHE . 82.4 m-70 -82.46 42.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.819 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -131.11 6.91 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.42 ' CG ' ' N ' ' A' ' 42' ' ' PHE . 2.8 p-10 -135.01 -48.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.472 ' O ' HD22 ' A' ' 44' ' ' LEU . 5.7 t80 -51.32 -174.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.64 43.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.472 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -52.11 -16.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -44.47 -23.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -106.38 -36.42 6.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -58.58 88.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -82.92 115.99 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.694 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -96.91 174.96 6.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 p -152.34 152.17 28.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 85.17 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.733 0.222 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -97.17 177.7 5.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.458 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 36.4 t -49.44 127.88 16.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.35 -2.13 5.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -102.08 -65.66 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 p -93.23 -30.06 15.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 71.27 34.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.83 -63.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -156.39 104.99 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -82.06 128.79 34.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.41 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 1.1 t -122.63 8.23 9.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HG ' ' C ' ' A' ' 19' ' ' THR . 7.0 mt -148.18 151.07 34.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -128.58 105.75 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.586 ' HA ' HG22 ' A' ' 49' ' ' THR . 43.7 t -75.59 126.74 31.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.13 -37.56 33.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.21 -20.17 72.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m -101.47 27.32 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 67.61 45.17 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.3 34.19 87.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 11.1 m-20 -68.93 121.46 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 33.7 mt -77.66 116.56 18.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 28' ' ' ASP . 48.8 m-85 -117.44 167.38 11.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.3 p -98.21 -172.54 2.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.91 -7.03 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.24 -79.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.512 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 61.0 m -38.16 -29.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 82.1 t80 -80.94 -55.41 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -63.39 -16.75 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 38' ' ' GLY . 2.9 pt-20 -89.43 -42.57 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.5 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -98.84 -48.37 1.78 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.613 ' HA ' HD11 ' A' ' 44' ' ' LEU . 73.6 m80 -79.05 44.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.32 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -130.81 0.38 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 42' ' ' PHE . 5.1 p-10 -134.93 -40.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.836 ' O ' HD22 ' A' ' 44' ' ' LEU . 1.6 t80 -51.91 -173.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.501 ' CB ' ' HE2' ' A' ' 45' ' ' LYS . 1.4 m-20 -79.02 38.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -44.21 -26.76 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' HE2' ' CB ' ' A' ' 43' ' ' ASP . 18.3 pttt -39.29 -25.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 44' ' ' LEU . 82.3 mt-10 -105.01 -35.79 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -64.78 91.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -88.32 100.4 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 22' ' ' CYS . 4.0 p -80.66 175.33 10.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 t -147.71 150.95 37.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.699 0.762 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 80.08 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 75.4 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.79 0.246 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.479 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -113.76 177.11 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' ASN . 35.8 t -48.6 125.71 10.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.76 -4.96 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -98.96 -64.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.421 ' SG ' ' HG3' ' A' ' 16' ' ' GLU . 3.2 p -94.55 -30.07 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.479 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 10.7 m-80 69.18 37.89 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 17' ' ' ASP . 3.1 pp20? -101.85 -52.86 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 22.7 t0 -165.93 105.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.51 125.69 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.674 HG23 ' HG ' ' A' ' 20' ' ' LEU . 8.7 t -118.97 10.02 12.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.674 ' HG ' HG23 ' A' ' 19' ' ' THR . 7.1 mt -150.13 151.71 33.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -129.98 105.73 8.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.47 125.31 28.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.78 -35.75 43.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.34 -19.03 75.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.2 m -103.88 31.38 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 63.12 47.26 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.55 38.85 92.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -73.08 120.43 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.559 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 36.9 mt -75.2 123.89 26.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.18 172.06 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' O ' HD12 ' A' ' 20' ' ' LEU . 13.1 p -102.04 -172.83 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 36' ' ' ARG . . . -85.25 -6.37 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.59 -78.18 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 63.6 m -38.28 -38.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 39' ' ' HIS . 72.1 t80 -65.95 -57.54 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 33.7 mmm-85 -61.52 -15.35 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.14 -49.32 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 41' ' ' ASN . . . -103.83 -40.91 2.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 35' ' ' PHE . 68.3 m-70 -82.24 42.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -134.64 -2.1 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -134.44 -23.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.645 ' O ' HD22 ' A' ' 44' ' ' LEU . 5.4 t80 -69.09 -174.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.46 40.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.686 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.2 mm? -54.08 -14.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -47.11 -20.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -113.42 -28.49 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -67.19 87.74 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -85.45 102.72 13.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.1 p -80.23 171.38 15.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.3 p -145.13 152.66 51.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 80.36 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 75.3 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.885 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.773 0.239 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.417 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -115.44 175.35 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.5 t -45.79 125.23 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.73 -2.99 4.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -100.56 -64.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.65 -29.51 14.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.417 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 3.1 m120 70.44 33.54 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -94.94 -62.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.72 105.13 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -77.82 129.83 35.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -122.31 0.45 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt -142.72 151.11 40.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 58.0 ttt-85 -128.38 101.52 6.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.22 128.52 36.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.17 -36.54 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.44 -18.29 75.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.9 m -102.97 27.37 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 65.26 44.11 3.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.489 ' HA3' ' CZ ' ' A' ' 21' ' ' ARG . . . 66.23 27.67 73.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.609 ' CG ' ' CE2' ' A' ' 30' ' ' TYR . 14.8 t0 -61.8 114.66 3.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.565 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 41.8 mt -73.36 122.18 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 28' ' ' ASP . 44.8 m-85 -123.05 170.91 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 p -102.36 -172.27 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.05 -7.46 58.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.502 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.93 -78.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.502 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.1 m -40.67 -41.43 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.523 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 77.6 t80 -61.08 -61.21 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 11.4 mtp-105 -60.81 -9.66 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.45 -41.08 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.31 -43.47 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.523 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 66.6 m-70 -78.64 43.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -133.58 1.52 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 42' ' ' PHE . 2.6 p-10 -132.23 -43.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.791 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.3 t80 -51.64 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -77.68 41.07 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -47.22 -23.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.72 -27.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 47' ' ' HIS . 8.6 pt-20 -103.1 -33.02 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.484 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 18.7 m-70 -64.59 100.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -95.21 107.11 19.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.8 p -87.1 173.24 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.7 m -150.23 152.84 34.21 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.703 0.763 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 81.31 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.793 0.247 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.12 176.87 4.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 36.4 t -48.9 128.41 15.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.69 -1.96 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.412 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.7 mm -102.05 -64.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 p -93.48 -30.56 14.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 70.39 33.1 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -96.6 -63.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -155.76 105.24 2.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.455 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -80.79 132.35 35.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.4 p -122.28 -1.88 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 31' ' ' CYS . 2.9 mt -140.29 154.48 46.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -131.09 105.26 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.59 ' HA ' HG22 ' A' ' 49' ' ' THR . 48.7 t -71.17 124.39 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.09 -36.91 40.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.98 -18.75 74.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 m -102.38 26.84 7.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t0 69.4 41.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 65.41 31.02 78.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.536 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.06 121.02 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.404 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 66.5 mt -77.01 117.28 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -118.57 173.02 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' O ' HD12 ' A' ' 20' ' ' LEU . 19.3 p -105.19 -172.05 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.37 -10.91 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -100.01 -77.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.512 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.2 m -40.68 -40.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 39' ' ' HIS . 62.8 t80 -63.95 -57.08 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -66.14 -4.36 7.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -96.11 -38.92 9.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.92 -39.4 1.57 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.485 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 64.7 m-70 -85.93 45.2 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.778 0.323 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -134.98 1.28 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.94 -29.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.68 ' O ' HD22 ' A' ' 44' ' ' LEU . 2.8 t80 -66.7 -175.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.416 ' CG ' ' HE2' ' A' ' 45' ' ' LYS . 8.2 m-20 -76.84 42.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.735 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.3 mm? -52.68 -16.32 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HE2' ' CG ' ' A' ' 43' ' ' ASP . 24.2 pttt -44.03 -22.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 44' ' ' LEU . 25.3 mt-10 -110.15 -31.31 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -65.91 89.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -88.34 114.14 24.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 22' ' ' CYS . 21.7 p -94.38 171.95 8.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 p -144.35 156.17 57.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 79.9 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 73.0 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.903 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -130.0 -60.73 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -56.22 117.06 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.63 -118.23 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -88.75 158.2 18.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -102.72 -55.97 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.58 85.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.574 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 13.8 mt -73.71 152.57 89.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.64 37.56 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.649 2.233 . . . . 0.0 112.37 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.574 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -109.08 176.06 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.425 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 38.3 t -45.3 128.79 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.6 t -67.51 -2.25 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.433 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.4 mm -102.26 -65.38 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 p -93.12 -30.06 15.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.541 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 7.8 m-80 69.18 35.58 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 10.7 pt-20 -100.56 -52.36 3.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.48 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 21.0 t0 -165.31 107.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -84.09 127.52 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.756 HG23 ' HG ' ' A' ' 20' ' ' LEU . 12.2 t -120.38 7.6 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.756 ' HG ' HG23 ' A' ' 19' ' ' THR . 5.8 mt -148.39 154.66 40.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -132.45 108.23 9.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 t -77.84 124.11 27.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.08 -33.91 44.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.64 -20.29 78.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 m -101.04 26.87 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.8 t70 69.99 42.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.07 33.11 84.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.2 118.28 12.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 8' ' ' LEU . 20.6 mt -74.01 123.1 23.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -122.77 172.6 8.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.8 p -103.09 -172.47 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.26 -8.16 58.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.23 -78.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.9 m -40.51 -37.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.463 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 68.9 t80 -65.78 -64.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -57.98 -11.57 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -77.88 -51.15 10.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.29 -36.84 2.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.463 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 34.1 m80 -78.38 40.23 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -134.92 5.53 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -133.93 -44.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.445 ' O ' HD22 ' A' ' 44' ' ' LEU . 5.3 t80 -52.73 -172.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.85 39.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.449 HD22 ' H ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -49.8 -19.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -42.22 -23.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' GLN . 49.6 mm-40 -107.5 -37.28 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -58.61 78.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' GLU . 45.3 mm-40 -74.49 111.25 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 p -92.69 165.78 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.1 m -140.9 153.3 67.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.713 0.768 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 81.18 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.748 2.298 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.473 ' CG ' HD22 ' A' ' 29' ' ' LEU . 75.0 t80 -74.94 141.31 44.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.48 100.16 16.76 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -173.01 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.713 2.276 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.473 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 2.3 mpt_? -77.57 50.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 29.4 mtp180 35.31 52.5 1.58 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 53.5 Cg_endo -69.77 -50.51 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.6 t -127.62 44.85 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' CD ' ' C ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -74.52 176.48 6.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.58 160.81 36.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -125.53 65.57 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 m -156.44 164.21 38.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.7 -158.18 18.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 140.56 42.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.56 150.6 51.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.2 t -137.15 133.77 35.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.48 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -97.89 119.47 36.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -86.6 176.17 7.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.53 -51.58 0.96 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -126.76 132.49 51.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 110.895 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 t -78.65 -64.07 1.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.56 140.16 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.006 ' O ' HD12 ' A' ' 29' ' ' LEU . 5.7 mt -125.68 151.65 71.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.88 12.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.37 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.571 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -126.99 177.27 6.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ASN . 37.8 t -55.4 124.75 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.5 t -65.12 -2.74 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.433 HG21 ' SG ' ' A' ' 34' ' ' CYS . 4.6 mm -99.86 -62.08 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 4.8 p -97.48 -24.93 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.484 ' OD1' HD13 ' A' ' 8' ' ' LEU . 1.8 m-80 65.07 35.04 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -98.97 -63.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -159.15 105.11 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -77.92 130.03 36.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.445 HG23 ' HG ' ' A' ' 20' ' ' LEU . 1.8 t -121.37 7.86 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HG ' HG23 ' A' ' 19' ' ' THR . 9.3 mt -149.81 152.2 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -128.9 105.94 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HA ' HG22 ' A' ' 49' ' ' THR . 35.1 t -77.29 124.58 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.65 49.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.2 -20.97 71.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.9 m -102.39 32.31 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 63.27 45.77 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.5 34.17 79.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.425 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 18.9 m-20 -69.29 116.61 9.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.006 HD12 ' O ' ' A' ' 8' ' ' LEU . 32.6 mt -72.4 117.22 13.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 28' ' ' ASP . 49.9 m-85 -118.22 171.2 8.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.9 p -101.83 -173.0 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.76 -7.82 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.67 -78.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.492 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 56.2 m -40.8 -37.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 39' ' ' HIS . 65.2 t80 -65.35 -61.51 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 49.0 mmm-85 -58.45 -21.1 50.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -72.28 -53.14 13.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.8 -44.1 1.99 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' PHE . 48.6 m80 -78.08 41.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 30.5 t70 -133.83 7.1 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 41' ' ' ASN . 0.3 OUTLIER -134.95 -48.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.779 ' O ' HD22 ' A' ' 44' ' ' LEU . 7.2 t80 -50.44 -176.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -75.3 46.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.779 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -55.1 -15.44 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -45.4 -25.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLN . 50.2 mt-10 -104.9 -35.19 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -59.28 77.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.7 mm-40 -70.74 116.68 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.448 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 1.4 p -102.53 165.21 11.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.2 m -140.14 152.81 68.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.695 0.76 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 85.38 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -83.69 141.66 31.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 83.6 m-70 -141.22 107.36 6.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 110.888 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 54.0 Cg_endo -69.76 179.04 3.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.636 2.224 . . . . 0.0 112.408 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 56' ' ' ARG . 6.6 tmm_? -91.34 -33.74 15.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 1.1 mpt_? -35.52 -60.17 0.64 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.8 Cg_endo -69.79 -175.04 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.722 2.281 . . . . 0.0 112.344 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.8 p -171.82 132.41 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -88.87 128.12 35.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -128.91 160.57 32.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -100.59 97.36 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -133.68 140.71 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.53 65.56 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.44 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.0 p -123.86 133.42 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 m -48.52 133.49 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.493 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -102.76 144.55 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -88.07 43.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.33 49.53 0.59 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -128.04 47.66 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -162.04 157.3 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.48 87.21 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 15.8 mt -42.57 152.42 0.35 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.51 32.04 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.565 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -102.29 175.68 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.9 t -44.32 128.66 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.93 -0.6 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.449 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.6 mm -103.35 -62.29 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 p -96.88 -30.5 13.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.565 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.0 m-80 69.88 38.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 15.6 pt-20 -102.94 -50.23 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.498 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 5.9 m-20 -167.78 107.69 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.69 128.8 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 p -119.8 -2.62 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -141.31 154.82 45.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.4 ttt85 -130.11 105.71 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.5 t -75.15 126.66 31.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.42 -37.96 31.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.14 -20.19 72.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 m -100.99 26.06 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.2 t0 68.21 45.82 1.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.72 35.28 89.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -70.88 117.56 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.613 HD22 ' CD2' ' A' ' 52' ' ' TYR . 30.6 mt -73.4 119.3 17.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -119.56 169.86 9.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.9 p -100.31 -172.53 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.25 -4.74 59.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.539 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.54 -78.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.539 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 60.4 m -39.42 -38.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 39' ' ' HIS . 64.4 t80 -66.22 -59.23 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -62.09 -13.59 28.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -84.29 -47.4 10.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.65 -42.1 1.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' PHE . 44.9 m80 -79.59 42.49 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 6.1 t70 -132.31 1.12 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -134.6 -41.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.642 ' O ' HD22 ' A' ' 44' ' ' LEU . 7.2 t80 -51.91 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.57 45.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.642 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -59.46 -18.62 41.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.18 -21.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' GLN . 13.9 mm-40 -111.65 -36.87 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -55.27 86.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' GLU . 62.9 mm-40 -79.75 114.48 18.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -97.62 171.67 8.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.7 m -148.5 155.27 42.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.613 ' CD2' HD22 ' A' ' 29' ' ' LEU . 68.6 t80 -95.61 149.7 21.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -142.8 114.85 6.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.693 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -173.14 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.38 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.8 ptp180 -83.6 51.68 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' ARG . 6.6 ptt180 33.95 54.69 1.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 54.0 Cg_endo -69.74 6.28 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.9 t -76.4 121.99 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -105.83 45.07 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -108.04 121.75 45.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -131.25 -50.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -166.02 163.91 18.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.9 128.31 3.55 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.63 114.22 3.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.385 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 m -81.41 91.16 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.6 p -117.0 151.11 37.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.811 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.503 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 p -60.77 -54.69 42.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -112.17 112.25 23.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -109.51 58.3 0.39 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 4' ' ' GLY . 37.4 p -36.97 141.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.802 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -164.53 149.62 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.0 115.53 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.995 ' O ' HD12 ' A' ' 29' ' ' LEU . 9.1 mt -56.9 155.38 15.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -28.87 24.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.528 ' HE1' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -104.91 -179.85 4.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.493 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 49.6 t -54.22 133.51 44.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.47 3.94 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.442 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.3 mm -109.52 -62.25 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 p -95.24 -27.2 15.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.494 ' OD1' ' NE1' ' A' ' 10' ' ' TRP . 2.2 m-80 64.2 39.52 7.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 24.6 pt-20 -103.98 -52.65 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 1.2 p30 -168.74 105.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -76.84 129.08 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.6 p -117.68 0.24 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 31' ' ' CYS . 4.3 mt -145.08 152.25 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -127.99 108.95 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.1 t -77.77 126.71 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.76 -37.31 30.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.36 -20.2 75.04 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 m -101.08 27.75 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.53 48.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.28 32.64 68.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.97 122.64 18.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.995 HD12 ' O ' ' A' ' 8' ' ' LEU . 58.4 mt -79.99 115.74 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -115.9 171.3 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.43 ' O ' HD12 ' A' ' 20' ' ' LEU . 26.1 p -103.09 -171.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.16 -7.5 58.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.54 -79.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.2 m -38.21 -37.83 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 73.6 t80 -67.28 -64.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 36' ' ' ARG . 3.7 ptm85 -55.96 -15.07 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -79.3 -49.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.79 -41.79 1.79 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 54.6 m80 -77.55 42.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -132.51 3.99 3.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 42' ' ' PHE . 2.6 p-10 -134.41 -44.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.65 ' O ' HD22 ' A' ' 44' ' ' LEU . 2.5 t80 -51.04 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -78.04 40.84 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.769 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.5 mm? -48.08 -26.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' CD ' ' HG3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -37.98 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HG3' ' CD ' ' A' ' 45' ' ' LYS . 10.9 mt-10 -102.59 -35.88 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' LEU . 16.8 m-70 -62.08 74.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' GLU . 40.5 mm-40 -67.59 100.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.1 p -79.3 -177.51 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.202 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.26 145.0 11.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.699 0.762 . . . . 0.0 110.842 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 79.44 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.379 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.439 ' CG ' ' N ' ' A' ' 53' ' ' HIS . 94.3 t80 -68.52 164.1 21.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.439 ' N ' ' CG ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -160.4 105.89 1.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 53.6 Cg_endo -69.75 150.42 68.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -48.01 -63.76 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 8.9 tpp180 -142.75 105.03 5.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 56' ' ' ARG . 53.7 Cg_endo -69.8 -32.24 18.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 86.8 m 59.37 43.79 16.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -58.87 119.85 7.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -133.91 74.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -127.8 34.56 4.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 83.3 p -127.03 141.78 51.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.84 -154.93 16.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 132.23 22.87 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -121.53 177.27 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.8 t -153.52 155.47 36.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.493 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -153.58 121.16 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -43.17 -44.81 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.14 71.76 0.53 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -159.32 128.47 5.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -90.89 -51.54 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.02 83.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 29' ' ' LEU . 12.7 mt -40.67 150.79 0.27 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.718 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -24.0 30.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.374 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.528 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -101.7 177.53 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.2 t -46.4 132.42 10.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -71.71 1.5 6.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mm -106.17 -63.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 p -94.6 -32.29 13.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.51 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.6 m120 72.0 35.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 15.6 pt-20 -98.87 -53.14 3.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 1.1 p30 -168.05 105.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -76.52 134.17 39.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.9 p -122.55 -4.41 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -141.32 155.44 45.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -130.78 108.26 9.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.07 124.21 27.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.93 -31.88 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.03 -15.38 81.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 m -105.74 27.21 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 69.48 40.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.92 34.33 89.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -68.85 120.65 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 8' ' ' LEU . 60.9 mt -76.44 118.65 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -119.9 166.71 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.8 p -97.86 -172.46 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.44 -7.11 59.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -104.74 -78.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.4 m -38.93 -35.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' HIS . 76.8 t80 -69.64 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -59.72 -10.25 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -83.2 -49.37 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.61 -38.54 2.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 35' ' ' PHE . 34.6 m80 -78.83 41.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -133.86 3.69 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -133.38 -44.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.663 ' O ' HD22 ' A' ' 44' ' ' LEU . 5.3 t80 -52.16 -174.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.22 44.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -55.83 -13.95 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -20.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' GLN . 14.1 mm-40 -111.84 -34.46 6.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -60.35 83.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 46' ' ' GLU . 93.2 mm-40 -78.32 117.29 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -100.61 -178.84 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -163.96 157.2 15.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.2 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.539 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 84.2 t80 -68.42 167.17 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 52' ' ' TYR . 32.3 m-70 -166.69 105.07 0.66 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.619 0.723 . . . . 0.0 110.818 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.493 ' HD3' ' CE2' ' A' ' 52' ' ' TYR . 54.1 Cg_endo -69.75 1.09 4.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 45.03 25.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 9.9 ttp180 -70.84 -52.11 10.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.567 0.699 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.8 Cg_endo -69.81 84.98 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.2 p -99.89 35.2 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -67.99 -54.15 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -156.42 116.24 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -67.26 105.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.7 p -174.19 169.93 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.56 168.0 6.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.442 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 144.82 55.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 p -44.97 169.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 m -131.52 42.14 3.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.454 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m -71.92 90.05 1.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.909 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -73.31 -30.01 63.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.4 -92.11 1.43 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -107.6 88.91 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.5 p -69.03 166.66 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.4 102.55 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.841 ' O ' HD12 ' A' ' 29' ' ' LEU . 20.1 mt -58.68 152.07 48.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.939 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -21.67 33.16 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.506 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -107.15 179.03 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -49.44 132.02 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.19 0.75 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mm -106.23 -66.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -92.5 -30.17 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.506 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.7 m120 70.75 33.21 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -94.54 -58.1 2.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -163.38 105.08 0.97 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.564 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -78.54 127.98 32.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 p -119.2 -1.05 10.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -140.84 152.11 44.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -128.77 106.26 8.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.45 ' HA ' HG22 ' A' ' 49' ' ' THR . 38.1 t -75.36 126.33 30.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.22 34.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.72 -20.22 70.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -102.47 30.3 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 63.79 47.87 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.82 38.18 91.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' CG ' ' CE2' ' A' ' 30' ' ' TYR . 19.7 t0 -71.05 120.82 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.841 HD12 ' O ' ' A' ' 8' ' ' LEU . 37.3 mt -77.28 115.66 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.466 ' CE2' ' CG ' ' A' ' 28' ' ' ASP . 40.5 m-85 -117.19 171.18 8.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -102.72 -172.16 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.96 -4.03 59.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 1.8 tmt_? -107.28 -78.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.6 m -39.96 -37.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 65.3 t80 -65.92 -56.7 10.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -65.79 -7.14 14.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -88.95 -40.78 12.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.76 -38.34 1.19 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.5 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 57.0 m80 -83.52 44.25 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -134.43 -2.59 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.53 -29.07 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.719 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.7 t80 -65.56 -175.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -75.0 43.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -57.75 -12.6 3.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -50.26 -17.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' GLN . 28.0 mt-10 -116.41 -32.01 5.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -59.71 76.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' GLU . 18.6 mm-40 -71.79 100.46 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 22' ' ' CYS . 1.7 p -78.87 179.01 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m -150.04 147.06 21.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.663 0.744 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 80.26 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -78.56 137.68 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 7.7 t-80 -135.04 95.75 14.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 53.2 Cg_endo -69.79 -178.22 2.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 56' ' ' ARG . 7.7 ptm180 -60.64 135.83 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 55' ' ' ARG . 9.5 ttt180 -31.27 94.61 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.476 ' N ' ' O ' ' A' ' 55' ' ' ARG . 54.2 Cg_endo -69.7 -179.39 2.85 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.396 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.1 t -120.57 101.4 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -130.46 150.03 51.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -123.58 -55.39 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -73.06 116.24 13.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.5 m -130.29 112.3 13.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 60.15 72.1 0.68 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.2 27.78 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 t 40.53 41.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -124.96 42.02 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.464 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -117.61 158.29 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -160.18 139.71 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.07 40.51 42.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.538 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -87.22 124.35 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -129.08 -47.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.65 125.15 5.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.598 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 63.8 mt -106.48 155.01 39.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.74 37.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.731 2.287 . . . . 0.0 112.324 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.598 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -110.38 179.71 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.502 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 49.4 t -50.59 129.6 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.3 t -68.2 -1.83 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.422 HG21 ' SG ' ' A' ' 34' ' ' CYS . 3.9 mm -102.64 -66.2 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 p -91.26 -31.32 16.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.429 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.5 m120 71.1 33.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -98.58 -65.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -152.03 105.2 3.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.502 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -81.65 129.85 34.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 1.6 t -124.08 12.05 8.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' C ' ' A' ' 19' ' ' THR . 12.1 mt -150.2 155.79 40.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -134.11 105.69 6.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 37.3 t -76.57 125.35 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.7 -33.58 35.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.61 78.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.536 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m -102.21 25.85 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 70.96 41.77 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 65.31 26.22 71.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -63.66 121.57 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.691 HD13 ' CE1' ' A' ' 52' ' ' TYR . 61.0 mt -78.59 125.39 29.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -124.12 172.71 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.8 p -104.31 -172.63 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.31 -7.66 58.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.544 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -101.91 -79.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 58.4 m -40.77 -41.03 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 57.1 t80 -61.14 -62.22 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -61.57 -8.98 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.69 -39.21 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.19 -44.76 1.06 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.506 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 68.7 m80 -78.88 43.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -130.75 4.26 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 42' ' ' PHE . 2.7 p-10 -134.8 -46.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.716 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.6 t80 -50.35 -177.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -77.52 43.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.777 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.5 mm? -51.33 -16.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -43.21 -25.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.68 -38.91 6.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -57.0 94.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -90.03 107.78 19.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.0 p -89.35 168.3 12.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -148.13 157.78 42.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 89.91 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.392 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.691 ' CE1' HD13 ' A' ' 29' ' ' LEU . 34.6 t80 -102.21 119.4 38.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -125.42 115.36 25.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -177.39 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.638 2.226 . . . . 0.0 112.361 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.69 28.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.59 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -77.55 -55.29 1.3 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 0.0 110.879 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.6 Cg_endo -69.74 -52.62 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' PRO . 6.0 m 34.4 36.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 57' ' ' PRO . 25.0 tp60 -145.85 139.82 26.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.77 158.56 29.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -99.46 129.01 45.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.4 p -116.2 162.81 16.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.1 -71.08 0.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 103.2 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.246 . . . . 0.0 112.3 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -93.68 159.14 15.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.8 t 48.46 41.8 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.488 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -61.16 158.63 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -92.22 139.69 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.68 99.64 2.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -171.97 131.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -103.89 82.81 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.57 98.03 0.99 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.784 ' O ' HD12 ' A' ' 29' ' ' LEU . 69.7 mt -49.12 153.35 1.64 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.93 35.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.56 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -107.6 174.9 5.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 34.6 t -44.65 126.54 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.16 -3.04 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -101.47 -65.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 p -94.22 -28.76 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.511 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.3 m-80 68.03 36.45 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -101.04 -56.51 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -159.92 104.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.76 119.81 24.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.748 HG23 ' HG ' ' A' ' 20' ' ' LEU . 14.6 t -112.05 8.15 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.748 ' HG ' HG23 ' A' ' 19' ' ' THR . 9.0 mt -150.03 155.22 39.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -130.45 110.49 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.65 123.61 26.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.08 -33.23 39.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.75 -21.62 79.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -97.86 26.28 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 68.69 42.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.22 34.38 87.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -72.19 115.69 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 8' ' ' LEU . 13.6 mt -74.14 122.72 23.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -121.91 169.45 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.36 -172.19 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.69 -8.46 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.482 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 1.4 tmt_? -101.18 -78.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.482 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 56.9 m -40.93 -38.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.592 ' CZ ' HG21 ' A' ' 49' ' ' THR . 61.2 t80 -65.32 -63.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -59.64 -11.62 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -84.48 -47.93 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.8 -40.62 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' PHE . 39.4 m80 -78.43 41.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -133.92 4.02 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -134.34 -43.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.491 ' O ' HD22 ' A' ' 44' ' ' LEU . 4.6 t80 -52.37 -172.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -77.38 39.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.502 HD22 ' H ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -50.29 -20.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.48 -22.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . 14.8 mm-40 -108.7 -36.78 6.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -60.41 85.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -80.35 111.27 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.592 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 2.9 p -86.88 171.46 10.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.4 m -148.57 153.84 40.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 91.76 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CD2' HD22 ' A' ' 29' ' ' LEU . 65.4 t80 -100.97 152.57 20.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 11.9 p80 -147.18 108.54 3.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.738 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 54.0 Cg_endo -69.74 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -54.31 -15.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.6 mtp180 63.86 54.94 1.67 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 54.1 Cg_endo -69.82 130.86 19.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.65 45.51 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -118.87 88.12 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -133.41 120.22 20.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -47.37 173.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.4 t -105.09 -52.54 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 64' ' ' PRO . . . -177.71 -148.96 7.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 63' ' ' GLY . 53.5 Cg_endo -69.77 2.83 3.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.8 p -68.9 174.13 4.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.6 t -74.99 123.59 25.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.501 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 t -111.05 119.35 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -96.8 -43.29 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 88.04 40.27 6.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.7 p 35.57 41.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -156.07 157.4 36.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -65.55 108.1 2.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.631 HD22 ' HE1' ' A' ' 10' ' ' TRP . 20.7 mt -36.49 155.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -23.83 30.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.631 ' HE1' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -102.84 177.37 4.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.413 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 42.0 t -47.75 129.31 13.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.8 -1.31 5.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -104.07 -65.97 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -92.57 -29.01 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 3.0 m120 68.48 34.16 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -98.12 -58.08 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -160.0 105.06 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -80.16 121.25 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.724 HG23 ' HG ' ' A' ' 20' ' ' LEU . 11.5 t -113.9 9.72 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.724 ' HG ' HG23 ' A' ' 19' ' ' THR . 7.9 mt -150.92 155.15 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -132.97 106.62 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.4 t -75.43 124.76 27.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.58 -33.73 35.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.8 -19.05 79.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.526 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -101.25 26.4 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.8 t70 69.66 41.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.76 30.87 78.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.05 116.64 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.601 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 49.4 mt -73.5 131.23 41.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -131.04 169.87 15.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -100.2 -172.21 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.97 -8.2 58.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.38 -78.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.524 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 60.5 m -38.33 -38.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 70.3 t80 -66.47 -61.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -57.07 -18.1 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.08 -51.81 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.26 -39.38 1.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.545 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 33.2 m80 -76.67 41.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.842 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -134.97 0.78 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -134.31 -42.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.636 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.7 t80 -51.05 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.469 ' CB ' ' HE3' ' A' ' 45' ' ' LYS . 93.8 m-20 -75.9 42.35 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -53.19 -15.57 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HE3' ' CB ' ' A' ' 43' ' ' ASP . 10.9 pttp -46.35 -21.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -110.18 -30.94 7.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -67.66 89.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.785 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -85.43 111.33 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -93.32 172.17 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -150.81 156.27 35.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.693 0.759 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 84.17 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -95.05 111.28 23.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -110.86 111.36 56.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 171.98 13.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 57' ' ' PRO . 31.5 mmt180 -37.45 111.28 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 14.4 ptt180 -28.48 92.64 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 55' ' ' ARG . 54.2 Cg_endo -69.73 172.91 11.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 m -116.99 96.07 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -99.98 42.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -85.31 68.16 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -47.7 106.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.8 t -101.03 79.95 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -136.2 122.61 2.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.64 4.66 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.25 . . . . 0.0 112.347 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 m -117.57 170.96 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -96.46 161.58 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 p -91.43 -50.9 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 p -54.43 118.78 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.12 46.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -40.98 121.17 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -104.2 142.57 34.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.68 81.9 1.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 21.1 mt -71.11 151.57 94.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.45 36.02 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.544 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -105.04 177.73 4.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.7 t -48.27 128.66 14.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -66.91 -2.43 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.478 HG21 ' SG ' ' A' ' 34' ' ' CYS . 3.6 mm -102.25 -66.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 p -92.74 -28.95 16.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.535 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 4.6 m-80 68.64 36.07 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -98.94 -57.24 2.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -161.25 105.41 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.42 123.22 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.697 HG23 ' HG ' ' A' ' 20' ' ' LEU . 8.6 t -117.07 7.93 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.697 ' HG ' HG23 ' A' ' 19' ' ' THR . 5.7 mt -149.14 151.58 34.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -128.4 107.33 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.52 ' HA ' HG22 ' A' ' 49' ' ' THR . 48.0 t -76.51 125.01 28.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.86 -38.87 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.72 -19.02 70.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.447 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -103.18 27.8 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 68.58 46.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 58.01 30.57 63.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -64.88 126.2 27.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.53 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 59.2 mt -80.41 118.77 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -118.52 177.29 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.9 p -111.06 -174.11 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.58 -9.19 59.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.652 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -100.95 -81.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.478 ' SG ' HG21 ' A' ' 13' ' ' ILE . 57.0 m -39.12 -36.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' HIS . 71.4 t80 -68.81 -61.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 8.8 ptm180 -59.03 -14.35 9.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' CG ' ' HD2' ' A' ' 33' ' ' ARG . 18.6 mm-40 -78.33 -51.15 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.73 -38.85 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' PHE . 35.4 m80 -79.35 40.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 110.827 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -134.01 3.61 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.411 ' CG ' ' N ' ' A' ' 42' ' ' PHE . 2.5 p-10 -132.64 -47.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.735 ' O ' HD22 ' A' ' 44' ' ' LEU . 6.6 t80 -50.48 -178.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -75.6 47.45 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -56.47 -13.62 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -19.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -112.96 -19.76 11.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -75.88 48.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -48.7 106.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 22' ' ' CYS . 1.1 p -85.43 173.84 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 t -140.98 148.71 53.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 80.46 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -84.67 134.29 34.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 7.3 m80 -134.28 101.55 12.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.554 0.692 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 54.0 Cg_endo -69.76 2.43 3.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.362 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 57.4 25.13 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 17.1 ttt85 -82.39 -62.12 0.32 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 56' ' ' ARG . 53.8 Cg_endo -69.81 136.15 32.15 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.9 m -56.25 157.26 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.36 146.22 44.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.978 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -107.23 136.66 46.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -60.52 -60.98 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -142.01 134.76 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.74 118.51 3.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 165.34 31.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.7 p -76.0 84.51 2.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.4 p -147.87 175.65 10.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.482 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -81.07 44.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -41.63 -44.62 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.09 130.81 2.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 t -145.9 149.73 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -152.29 173.1 15.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.1 116.12 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.602 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 32.3 mt -94.04 152.72 40.65 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.577 0.703 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -9.03 25.1 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.602 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -116.36 169.65 9.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.49 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.2 t -46.54 127.77 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.8 t -67.68 -1.74 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.429 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.9 mm -101.02 -65.7 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 p -92.49 -29.63 16.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 4.1 m120 71.49 35.27 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -100.04 -54.17 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -168.5 109.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -88.23 124.18 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.604 HG23 ' HG ' ' A' ' 20' ' ' LEU . 6.0 t -115.67 11.03 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.604 ' HG ' HG23 ' A' ' 19' ' ' THR . 6.9 mt -146.22 149.45 33.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -126.29 107.31 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.8 t -78.2 123.99 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.68 -36.95 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.25 -20.7 73.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 3.6 m -100.51 31.64 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 12.9 m-20 64.47 38.78 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.77 30.72 72.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -70.48 121.48 17.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.664 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 84.4 mt -77.38 132.97 38.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -129.25 176.55 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -107.71 -171.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.6 -7.63 58.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.53 -78.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.516 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 60.6 m -40.7 -37.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 39' ' ' HIS . 67.4 t80 -66.92 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -59.2 -11.28 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.54 -49.83 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.5 -39.15 2.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' PHE . 35.5 m80 -78.47 40.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -133.48 3.71 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -133.0 -44.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.622 ' O ' HD22 ' A' ' 44' ' ' LEU . 4.8 t80 -52.08 -174.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.29 42.96 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.622 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -53.84 -18.31 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -43.41 -22.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLN . 17.2 mm-40 -109.23 -36.92 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -57.48 83.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' GLU . 38.3 mm-40 -78.72 109.45 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 p -90.16 -179.54 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.5 p -163.26 153.51 13.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 85.24 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.664 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 84.7 t80 -84.47 33.03 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 5.7 p80 -31.96 95.21 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.591 0.71 . . . . 0.0 110.841 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' TYR . 53.8 Cg_endo -69.8 139.18 39.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -83.94 27.41 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 2.0 mmt-85 -81.94 -67.06 0.22 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.724 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 56' ' ' ARG . 53.7 Cg_endo -69.75 85.02 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 64.4 m -108.56 -49.12 3.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -91.06 57.51 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.38 87.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -51.33 114.96 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 t 64.25 45.58 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.782 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.02 62.88 0.57 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -179.35 2.89 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.1 t -68.95 -49.61 56.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 t -43.77 148.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.818 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.497 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -145.79 123.29 11.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -93.99 -46.07 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.45 97.97 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 t -75.57 -65.88 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.824 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -153.95 168.5 26.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.49 130.75 10.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.914 ' O ' HD12 ' A' ' 29' ' ' LEU . 13.7 mt -80.21 152.82 74.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.897 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -18.6 36.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.336 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.54 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -111.27 177.55 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.413 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.8 t -47.55 127.09 10.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.5 t -66.23 -3.14 5.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mm -101.89 -62.65 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 p -95.77 -28.22 14.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.54 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 3.0 m-80 66.32 37.36 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 10.4 pt-20 -103.88 -51.44 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.494 ' CG ' ' O ' ' A' ' 17' ' ' ASP . 2.1 p-10 -164.12 107.15 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -85.67 121.29 28.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.704 HG23 ' HG ' ' A' ' 20' ' ' LEU . 10.1 t -113.8 9.25 17.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.704 ' HG ' HG23 ' A' ' 19' ' ' THR . 6.8 mt -150.35 148.57 28.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' THR . 6.4 ttp180 -125.14 110.48 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.23 126.28 30.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.92 -32.74 30.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.79 -18.62 79.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.6 25.56 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t0 70.05 43.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.76 35.03 91.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -72.28 123.75 23.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 8' ' ' LEU . 17.5 mt -80.92 119.15 23.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -116.97 177.65 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' O ' HD12 ' A' ' 20' ' ' LEU . 17.8 p -109.0 -172.79 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.81 -6.58 59.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 1.7 tmt_? -104.22 -78.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.0 m -39.74 -40.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.616 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 61.9 t80 -64.31 -57.75 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -63.78 -11.99 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -86.43 -40.31 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.83 -43.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.616 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 50.4 m80 -77.38 45.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -133.15 2.94 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 42' ' ' PHE . 2.8 p-10 -134.77 -43.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.651 ' O ' HD22 ' A' ' 44' ' ' LEU . 2.3 t80 -51.08 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.489 ' OD1' ' CG ' ' A' ' 45' ' ' LYS . 21.5 t70 -76.98 39.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.733 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.6 mm? -45.09 -21.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' CG ' ' OD1' ' A' ' 43' ' ' ASP . 10.3 ptpt -50.07 -31.67 13.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 58.0 mt-10 -95.99 -24.12 16.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -77.48 98.22 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 46' ' ' GLU . 3.8 mp0 -86.42 106.13 17.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' ARG . 1.3 p -97.64 159.68 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 m -144.53 158.75 53.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 91.81 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CD2' HD22 ' A' ' 29' ' ' LEU . 70.8 t80 -83.28 138.67 33.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 6.9 p80 -132.78 92.47 26.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 110.818 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 53.5 Cg_endo -69.79 -176.52 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' A' ' 56' ' ' ARG . 30.8 mtp180 -54.12 120.13 6.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 55' ' ' ARG . 62.2 mtp180 -30.49 94.4 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.644 0.735 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.8 -174.13 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.276 . . . . 0.0 112.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 25.4 t -127.09 36.22 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -124.05 166.79 15.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 69.29 48.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -143.44 147.27 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 t 42.82 41.95 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.21 69.37 0.29 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -47.38 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.0 p -135.35 163.46 29.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -164.27 154.25 14.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.46 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -66.84 162.91 20.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -99.29 95.46 7.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.62 103.42 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -110.67 116.11 30.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -39.24 -52.19 1.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.69 131.48 3.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.852 ' O ' HD12 ' A' ' 29' ' ' LEU . 74.0 mt -46.32 155.54 0.55 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.51 29.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.507 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -104.27 176.55 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 33.7 t -47.11 128.34 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -68.39 -0.91 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mm -103.75 -64.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 p -93.86 -30.79 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 71.06 33.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -97.37 -63.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -157.0 105.2 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -80.53 139.77 36.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.1 p -131.08 1.43 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -142.55 149.08 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -125.64 106.09 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.5 t -76.56 126.34 30.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.71 -36.79 36.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.39 -19.91 74.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.3 m -102.75 31.21 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 62.82 49.66 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.51 37.74 68.09 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -72.12 118.71 15.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.852 HD12 ' O ' ' A' ' 8' ' ' LEU . 69.3 mt -73.79 116.03 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -117.2 168.98 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.05 -173.06 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.87 -5.63 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.17 -79.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 59.1 m -40.87 -39.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 70.9 t80 -66.53 -61.83 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' NH1' ' HB2' ' A' ' 36' ' ' ARG . 3.6 ptm85 -57.62 -12.45 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -82.25 -51.53 7.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.78 -38.85 2.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 38.0 m80 -78.28 40.95 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -134.57 2.59 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' PHE . 1.9 p-10 -131.17 -42.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.718 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.1 t80 -52.56 -172.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 45' ' ' LYS . 3.3 m-20 -79.0 37.31 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -43.81 -22.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 43' ' ' ASP . 24.2 pttt -43.02 -27.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -102.24 -35.77 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -62.16 82.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -75.03 102.07 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.14 178.94 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.86 145.36 17.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 110.824 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 79.55 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -77.09 142.33 39.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 18.8 m80 -134.97 95.13 15.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 53.9 Cg_endo -69.74 127.65 14.92 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -83.12 22.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.55 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -91.08 -65.56 0.15 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 56' ' ' ARG . 53.9 Cg_endo -69.79 100.45 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 97.1 m -78.39 90.03 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -120.14 110.28 16.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.76 84.36 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 14.0 p-80 -136.91 122.14 19.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 t -61.75 -62.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.6 147.71 4.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 146.23 59.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.6 p -86.37 166.85 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.6 p -80.81 134.1 35.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.484 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 m -55.64 105.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.82 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -144.47 166.19 25.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.6 120.82 7.0 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 6' ' ' SER . 49.6 m -128.37 -50.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.5 m -37.06 150.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.09 98.72 1.01 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 19.9 mt -95.85 152.7 39.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.604 0.716 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -19.51 35.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.615 2.21 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.505 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -105.55 179.01 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.4 t -51.99 128.45 24.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.55 -1.97 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.431 HG21 ' SG ' ' A' ' 34' ' ' CYS . 6.6 mm -102.43 -66.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.9 p -90.74 -31.89 16.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 m120 73.81 33.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -97.62 -65.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -155.49 105.53 2.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -79.77 128.14 33.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.746 HG23 ' HG ' ' A' ' 20' ' ' LEU . 8.9 t -121.65 8.07 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.746 ' HG ' HG23 ' A' ' 19' ' ' THR . 5.3 mt -150.19 150.44 31.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 49' ' ' THR . 17.2 ttt85 -125.34 108.59 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.5 t -80.98 125.85 30.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.96 -36.24 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.46 -18.65 73.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.76 28.66 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 68.47 44.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.06 31.9 74.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -71.27 125.68 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.607 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 63.2 mt -79.43 120.41 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -117.7 166.14 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 p -99.74 -172.07 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.25 -6.97 59.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 4.6 tmt_? -103.61 -78.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.528 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.7 m -41.33 -28.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.502 ' CD1' ' HB2' ' A' ' 39' ' ' HIS . 59.3 t80 -82.23 -58.33 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -66.02 -7.23 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -97.71 -40.95 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -107.57 -38.98 1.98 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.502 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 51.9 m80 -84.33 44.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -134.65 -0.49 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.07 -27.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.791 ' O ' HD22 ' A' ' 44' ' ' LEU . 6.9 t80 -67.64 -175.16 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -74.72 45.49 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -59.73 -11.08 4.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -19.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 48' ' ' GLN . 38.5 mt-10 -114.24 -33.97 5.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -57.48 86.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 46' ' ' GLU . 71.5 mm-40 -81.98 112.02 18.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.412 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 7.7 p -95.7 179.89 4.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -161.2 156.86 21.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 80.24 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -65.0 152.95 42.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -131.59 94.64 25.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.15 17.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -87.76 15.23 7.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.504 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -72.8 -59.8 2.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.9 Cg_endo -69.75 100.77 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.3 t -95.01 45.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -172.03 133.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -135.48 137.82 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -113.35 111.13 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.0 p -49.98 130.45 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.58 175.72 54.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 151.71 69.4 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.631 2.221 . . . . 0.0 112.378 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.9 m -114.39 -59.28 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.0 p -74.37 138.81 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.456 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 p -69.18 -52.48 27.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -49.08 159.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.28 -96.33 0.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -62.49 117.56 6.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -92.34 74.02 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.48 100.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.58 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 96.4 mt -43.93 153.94 0.39 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -20.93 33.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.355 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.58 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -105.3 176.07 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 t -46.2 126.79 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -66.33 -2.83 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -101.64 -64.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.41 -28.46 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.536 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.4 m-80 68.05 35.1 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.56 -57.2 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.45 105.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -80.56 127.0 31.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 p -116.91 -4.52 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -136.98 153.35 50.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -129.68 103.31 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.609 ' HA ' HG22 ' A' ' 49' ' ' THR . 38.7 t -72.73 125.57 27.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.65 -38.99 38.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.63 -19.96 69.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.7 m -102.23 25.84 8.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.7 t0 69.87 43.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 62.21 29.62 73.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -63.68 119.8 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD13 ' CE2' ' A' ' 52' ' ' TYR . 32.8 mt -75.48 116.95 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -117.13 173.93 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -104.83 -172.84 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.12 -6.01 59.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.545 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -104.39 -78.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.545 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 57.5 m -40.57 -39.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' HIS . 64.4 t80 -63.87 -57.11 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 14.5 mtp-105 -65.63 -5.89 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.18 -42.87 10.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.17 -37.2 1.69 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.481 ' HA ' HD11 ' A' ' 44' ' ' LEU . 59.7 m80 -84.68 43.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -135.03 0.18 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.96 -29.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.842 ' O ' HD22 ' A' ' 44' ' ' LEU . 4.6 t80 -64.76 -174.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.94 41.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.842 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -50.97 -20.81 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -40.56 -27.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' LEU . 27.9 mm-40 -103.2 -33.89 9.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -63.93 93.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -92.92 103.94 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.609 HG22 ' HA ' ' A' ' 22' ' ' CYS . 10.0 p -84.92 171.49 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 m -144.44 158.09 54.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 82.9 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.621 ' CE2' HD13 ' A' ' 29' ' ' LEU . 59.1 t80 -82.83 143.87 30.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -134.87 94.55 16.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 110.841 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 2.87 3.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 61.38 25.62 15.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.54 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 4.9 tpt180 -90.44 -65.36 0.16 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.567 0.699 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 56' ' ' ARG . 53.7 Cg_endo -69.76 -163.67 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 76.3 m 52.17 44.19 29.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -82.39 169.17 16.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -117.83 126.8 53.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -161.94 166.62 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.1 m -127.58 139.15 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 156.35 81.38 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 171.24 14.8 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.301 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.8 p -160.43 117.77 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.1 m -148.3 144.1 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.481 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 3' ' ' SER . 71.2 m -91.37 40.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.872 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 2' ' ' SER . 6.0 t 36.71 41.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.15 57.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -61.11 -44.8 96.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p 47.77 47.92 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.63 160.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.791 ' O ' HD12 ' A' ' 29' ' ' LEU . 20.9 mt -151.39 158.34 34.46 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.572 0.701 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -27.0 26.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.406 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -103.64 178.59 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 t -52.92 124.03 13.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -63.58 -6.33 5.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.495 HG21 ' SG ' ' A' ' 34' ' ' CYS . 4.8 mm -96.1 -66.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 p -92.47 -32.63 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 74.45 32.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -95.33 -61.81 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -162.45 105.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -79.34 131.18 36.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.411 HG23 ' HG ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -123.29 2.83 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.535 HD13 ' CD2' ' A' ' 35' ' ' PHE . 4.2 mt -142.0 149.41 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -124.72 104.44 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.88 125.06 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.9 -36.74 41.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.93 -16.11 72.26 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.4 m -105.47 30.17 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.9 t0 66.0 38.78 4.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.47 27.34 73.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -63.89 126.66 28.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 8' ' ' LEU . 50.2 mt -80.62 125.51 30.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -124.37 169.04 12.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.6 p -102.66 -172.32 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.69 -6.82 59.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 3.0 tmt_? -103.77 -78.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 38.3 m -42.93 -27.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.694 ' CZ ' HG21 ' A' ' 49' ' ' THR . 49.5 t80 -79.63 -60.61 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -65.1 -15.05 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.515 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -89.13 -44.4 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' CA ' ' OE2' ' A' ' 37' ' ' GLU . . . -98.68 -45.54 2.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 35' ' ' PHE . 68.0 m80 -82.46 42.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.819 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -131.11 6.91 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.42 ' CG ' ' N ' ' A' ' 42' ' ' PHE . 2.8 p-10 -135.01 -48.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.472 ' O ' HD22 ' A' ' 44' ' ' LEU . 5.7 t80 -51.32 -174.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.64 43.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.472 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -52.11 -16.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -44.47 -23.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -106.38 -36.42 6.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -58.58 88.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -82.92 115.99 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.694 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -96.91 174.96 6.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 p -152.34 152.17 28.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 85.17 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -87.62 136.62 32.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 5.9 p80 -134.25 97.79 14.55 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.68 18.34 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.496 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.8 ptp180 -47.56 125.14 7.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' ARG . 55.1 mtm180 -30.6 94.36 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.78 -48.03 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.8 t -144.54 156.14 44.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -94.45 -45.61 7.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -53.04 133.3 38.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -86.24 148.59 25.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -140.23 121.4 14.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.03 157.84 34.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.8 p -45.15 168.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 t -91.81 151.64 20.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.522 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -131.56 150.95 51.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 m -98.47 -47.59 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.69 39.0 11.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -149.39 123.68 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -129.74 138.13 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.74 72.94 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.64 ' O ' HD12 ' A' ' 29' ' ' LEU . 24.2 mt -62.41 152.21 80.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.725 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -26.02 27.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.457 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -97.17 177.7 5.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 36.4 t -49.44 127.88 16.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.35 -2.13 5.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -102.08 -65.66 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 p -93.23 -30.06 15.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 71.27 34.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.83 -63.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -156.39 104.99 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -82.06 128.79 34.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.41 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 1.1 t -122.63 8.23 9.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HG ' ' C ' ' A' ' 19' ' ' THR . 7.0 mt -148.18 151.07 34.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -128.58 105.75 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.586 ' HA ' HG22 ' A' ' 49' ' ' THR . 43.7 t -75.59 126.74 31.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.13 -37.56 33.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.21 -20.17 72.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m -101.47 27.32 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 67.61 45.17 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.3 34.19 87.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 11.1 m-20 -68.93 121.46 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 8' ' ' LEU . 33.7 mt -77.66 116.56 18.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 28' ' ' ASP . 48.8 m-85 -117.44 167.38 11.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.3 p -98.21 -172.54 2.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.91 -7.03 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.24 -79.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.512 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 61.0 m -38.16 -29.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 82.1 t80 -80.94 -55.41 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -63.39 -16.75 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 38' ' ' GLY . 2.9 pt-20 -89.43 -42.57 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -98.84 -48.37 1.78 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.613 ' HA ' HD11 ' A' ' 44' ' ' LEU . 73.6 m80 -79.05 44.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.32 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -130.81 0.38 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 42' ' ' PHE . 5.1 p-10 -134.93 -40.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.836 ' O ' HD22 ' A' ' 44' ' ' LEU . 1.6 t80 -51.91 -173.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.501 ' CB ' ' HE2' ' A' ' 45' ' ' LYS . 1.4 m-20 -79.02 38.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -44.21 -26.76 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' HE2' ' CB ' ' A' ' 43' ' ' ASP . 18.3 pttt -39.29 -25.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 44' ' ' LEU . 82.3 mt-10 -105.01 -35.79 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -64.78 91.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -88.32 100.4 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 22' ' ' CYS . 4.0 p -80.66 175.33 10.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 t -147.71 150.95 37.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.699 0.762 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 80.08 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 53' ' ' HIS . 75.4 t80 -79.2 166.62 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.501 ' N ' ' CG ' ' A' ' 52' ' ' TYR . 8.5 p80 -165.37 105.45 0.76 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.602 0.715 . . . . 0.0 110.848 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 54.2 Cg_endo -69.78 -169.42 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -54.95 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 13.4 ttp-105 -134.29 85.86 37.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.706 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -1.58 8.7 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.0 t 49.12 39.4 15.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -81.25 80.88 7.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' OE2' ' CD2' ' A' ' 61' ' ' HIS . 3.0 pp20? -82.15 -41.94 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.449 ' CD2' ' OE2' ' A' ' 60' ' ' GLU . 80.7 m-70 -50.44 108.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 t -84.32 -46.45 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.29 73.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 164.33 34.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.3 t -121.38 -56.33 1.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.5 m -84.3 169.78 14.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.486 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 m -106.54 171.81 7.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 p -88.7 42.48 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 147.94 -53.37 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.431 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m -52.8 91.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 4' ' ' GLY . 14.8 m -94.47 34.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.55 119.9 4.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.942 ' O ' HD12 ' A' ' 29' ' ' LEU . 92.1 mt -70.11 153.65 95.17 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.63 0.729 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -16.25 37.51 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.524 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -113.76 177.11 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' ASN . 35.8 t -48.6 125.71 10.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.76 -4.96 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -98.96 -64.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.421 ' SG ' ' HG3' ' A' ' 16' ' ' GLU . 3.2 p -94.55 -30.07 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.479 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 10.7 m-80 69.18 37.89 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 17' ' ' ASP . 3.1 pp20? -101.85 -52.86 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 22.7 t0 -165.93 105.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.51 125.69 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.674 HG23 ' HG ' ' A' ' 20' ' ' LEU . 8.7 t -118.97 10.02 12.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.674 ' HG ' HG23 ' A' ' 19' ' ' THR . 7.1 mt -150.13 151.71 33.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -129.98 105.73 8.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.47 125.31 28.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.78 -35.75 43.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.34 -19.03 75.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.2 m -103.88 31.38 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 63.12 47.26 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.55 38.85 92.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -73.08 120.43 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.942 HD12 ' O ' ' A' ' 8' ' ' LEU . 36.9 mt -75.2 123.89 26.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.18 172.06 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' O ' HD12 ' A' ' 20' ' ' LEU . 13.1 p -102.04 -172.83 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 36' ' ' ARG . . . -85.25 -6.37 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.59 -78.18 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 63.6 m -38.28 -38.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 39' ' ' HIS . 72.1 t80 -65.95 -57.54 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 33.7 mmm-85 -61.52 -15.35 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.14 -49.32 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 41' ' ' ASN . . . -103.83 -40.91 2.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 35' ' ' PHE . 57.6 m80 -82.24 42.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -134.64 -2.1 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -134.44 -23.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.645 ' O ' HD22 ' A' ' 44' ' ' LEU . 5.4 t80 -69.09 -174.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.46 40.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.686 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.2 mm? -54.08 -14.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -47.11 -20.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -113.42 -28.49 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -67.19 87.74 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -85.45 102.72 13.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.1 p -80.23 171.38 15.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.3 p -145.13 152.66 51.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 80.36 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -75.49 155.24 36.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 20.0 p-80 -138.98 105.88 7.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.544 0.687 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 53.0 Cg_endo -69.84 -165.57 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 57' ' ' PRO . 59.7 mtm180 -78.01 -49.88 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -113.3 65.72 1.07 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.59 0.71 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD3' ' C ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.75 -21.16 33.92 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.4 p -71.44 -40.28 70.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' CYS . 28.7 tt0 -36.82 97.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 58' ' ' CYS . 39.9 mt-10 -74.25 141.28 45.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -123.09 42.08 3.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.1 m -42.34 -57.0 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -43.09 125.61 4.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -14.71 36.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.337 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -110.87 167.74 10.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.3 p -102.4 174.41 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.466 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -122.17 141.43 51.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m 54.47 44.8 28.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.97 -144.48 21.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -93.9 103.23 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 m -91.69 152.72 20.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.6 ' O ' HD23 ' A' ' 8' ' ' LEU . . . 106.75 102.3 2.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.905 ' O ' HD12 ' A' ' 29' ' ' LEU . 70.4 mt -146.3 153.34 48.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.626 0.727 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.31 35.98 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.517 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -115.44 175.35 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.5 t -45.79 125.23 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.73 -2.99 4.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -100.56 -64.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.65 -29.51 14.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.417 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 3.5 m-80 70.44 33.54 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -94.94 -62.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.72 105.13 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -77.82 129.83 35.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -122.31 0.45 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt -142.72 151.11 40.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 58.0 ttt-85 -128.38 101.52 6.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.22 128.52 36.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.17 -36.54 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.44 -18.29 75.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.9 m -102.97 27.37 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 65.26 44.11 3.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.489 ' HA3' ' CZ ' ' A' ' 21' ' ' ARG . . . 66.23 27.67 73.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.609 ' CG ' ' CE2' ' A' ' 30' ' ' TYR . 14.8 t0 -61.8 114.66 3.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.905 HD12 ' O ' ' A' ' 8' ' ' LEU . 41.8 mt -73.36 122.18 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 28' ' ' ASP . 44.8 m-85 -123.05 170.91 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 p -102.36 -172.27 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.05 -7.46 58.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.502 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.93 -78.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.502 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.1 m -40.67 -41.43 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.523 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 77.6 t80 -61.08 -61.21 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 11.4 mtp-105 -60.81 -9.66 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.45 -41.08 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.31 -43.47 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.523 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 55.9 m80 -78.64 43.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -133.58 1.52 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 42' ' ' PHE . 2.6 p-10 -132.23 -43.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.791 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.3 t80 -51.64 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -77.68 41.07 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -47.22 -23.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.72 -27.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 47' ' ' HIS . 8.6 pt-20 -103.1 -33.02 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.484 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 18.7 m-70 -64.59 100.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -95.21 107.11 19.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.8 p -87.1 173.24 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.7 m -150.23 152.84 34.21 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.703 0.763 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 81.31 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -92.25 143.04 26.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -146.39 114.17 4.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 165.16 31.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.362 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -103.55 14.42 31.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -81.83 -60.79 0.39 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 54.1 Cg_endo -69.74 129.08 16.99 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.622 2.215 . . . . 0.0 112.387 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 53.2 t -148.1 123.23 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -171.43 141.7 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -96.17 116.21 28.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 62' ' ' SER . 2.5 t-80 -73.11 155.19 39.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 30.1 m -150.34 120.64 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.413 ' HA2' ' HD2' ' A' ' 64' ' ' PRO . . . -165.76 95.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.413 ' HD2' ' HA2' ' A' ' 63' ' ' GLY . 53.2 Cg_endo -69.79 104.53 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.4 p -102.96 -39.4 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.0 m 58.0 44.82 18.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.516 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -94.91 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.8 p -147.05 119.22 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -39.54 -78.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.53 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.0 m -33.92 133.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.813 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -83.25 -54.54 4.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.36 143.46 9.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.991 ' O ' HD12 ' A' ' 29' ' ' LEU . 38.6 mt -111.04 155.92 41.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.708 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -19.81 35.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.752 ' HE1' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -111.12 176.87 4.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 36.4 t -48.9 128.41 15.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.69 -1.96 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.412 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.7 mm -102.05 -64.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 p -93.48 -30.56 14.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 70.39 33.1 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -96.6 -63.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -155.76 105.24 2.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.455 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -80.79 132.35 35.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.4 p -122.28 -1.88 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 31' ' ' CYS . 2.9 mt -140.29 154.48 46.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -131.09 105.26 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.59 ' HA ' HG22 ' A' ' 49' ' ' THR . 48.7 t -71.17 124.39 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.09 -36.91 40.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.98 -18.75 74.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 m -102.38 26.84 7.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t0 69.4 41.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 65.41 31.02 78.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.536 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.06 121.02 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.991 HD12 ' O ' ' A' ' 8' ' ' LEU . 66.5 mt -77.01 117.28 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -118.57 173.02 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' O ' HD12 ' A' ' 20' ' ' LEU . 19.3 p -105.19 -172.05 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.37 -10.91 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -100.01 -77.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.512 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.2 m -40.68 -40.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 39' ' ' HIS . 62.8 t80 -63.95 -57.08 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -66.14 -4.36 7.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -96.11 -38.92 9.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.92 -39.4 1.57 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.505 ' HD2' HD12 ' A' ' 44' ' ' LEU . 65.1 m80 -85.93 45.2 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.778 0.323 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -134.98 1.28 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.94 -29.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.68 ' O ' HD22 ' A' ' 44' ' ' LEU . 2.8 t80 -66.7 -175.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.416 ' CG ' ' HE2' ' A' ' 45' ' ' LYS . 8.2 m-20 -76.84 42.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.735 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.3 mm? -52.68 -16.32 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HE2' ' CG ' ' A' ' 43' ' ' ASP . 24.2 pttt -44.03 -22.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 44' ' ' LEU . 25.3 mt-10 -110.15 -31.31 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -65.91 89.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -88.34 114.14 24.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 22' ' ' CYS . 21.7 p -94.38 171.95 8.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 p -144.35 156.17 57.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 79.9 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -81.98 161.4 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -164.63 112.31 0.88 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 56' ' ' ARG . 53.6 Cg_endo -69.76 -0.03 6.32 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.393 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HG2' ' C ' ' A' ' 54' ' ' PRO . 26.0 ptt180 39.01 25.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.568 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 25.8 tpt85 -77.51 -56.31 1.18 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.2 Cg_endo -69.82 111.66 2.88 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.2 t -65.14 121.32 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.418 ' CD ' ' H ' ' A' ' 59' ' ' GLN . 3.1 pm0 -53.64 94.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.61 138.56 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -42.24 141.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m -97.81 81.33 2.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.97 130.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 54.4 Cg_endo -69.76 -176.37 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' PRO . 1.5 t -36.04 -44.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.3 p -126.62 140.1 52.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.517 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.111 0 CA-C-O 120.775 0.24 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.541 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -109.08 176.06 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.425 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 38.3 t -45.3 128.79 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.6 t -67.51 -2.25 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.433 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.4 mm -102.26 -65.38 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 p -93.12 -30.06 15.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.541 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 6.9 m120 69.18 35.58 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 10.7 pt-20 -100.56 -52.36 3.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.48 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 21.0 t0 -165.31 107.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -84.09 127.52 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.756 HG23 ' HG ' ' A' ' 20' ' ' LEU . 12.2 t -120.38 7.6 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.756 ' HG ' HG23 ' A' ' 19' ' ' THR . 5.8 mt -148.39 154.66 40.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -132.45 108.23 9.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 t -77.84 124.11 27.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.08 -33.91 44.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.64 -20.29 78.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 m -101.04 26.87 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.8 t70 69.99 42.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.07 33.11 84.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.2 118.28 12.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.473 HD22 ' CG ' ' A' ' 52' ' ' TYR . 20.6 mt -74.01 123.1 23.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -122.77 172.6 8.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.8 p -103.09 -172.47 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.26 -8.16 58.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.23 -78.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.9 m -40.51 -37.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.463 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 68.9 t80 -65.78 -64.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -57.98 -11.57 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -77.88 -51.15 10.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.29 -36.84 2.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.463 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 34.1 m80 -78.38 40.23 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -134.92 5.53 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.602 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -133.93 -44.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.602 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 5.3 t80 -52.73 -172.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.85 39.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.449 HD22 ' H ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -49.8 -19.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -42.22 -23.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' GLN . 49.6 mm-40 -107.5 -37.28 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -58.61 78.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' GLU . 45.3 mm-40 -74.49 111.25 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 p -92.69 165.78 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.1 m -140.9 153.3 67.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.713 0.768 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 81.18 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.748 2.298 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.473 ' CG ' HD22 ' A' ' 29' ' ' LEU . 75.0 t80 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.791 0.246 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.99 177.27 6.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ASN . 37.8 t -55.4 124.75 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.5 t -65.12 -2.74 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.433 HG21 ' SG ' ' A' ' 34' ' ' CYS . 4.6 mm -99.86 -62.08 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 4.8 p -97.48 -24.93 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' CYS . 1.8 m-80 65.07 35.04 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -98.97 -63.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -159.15 105.11 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -77.92 130.03 36.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.445 HG23 ' HG ' ' A' ' 20' ' ' LEU . 1.8 t -121.37 7.86 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HG ' HG23 ' A' ' 19' ' ' THR . 9.3 mt -149.81 152.2 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -128.9 105.94 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HA ' HG22 ' A' ' 49' ' ' THR . 35.1 t -77.29 124.58 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.65 49.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.2 -20.97 71.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.9 m -102.39 32.31 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 63.27 45.77 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.5 34.17 79.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.425 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 18.9 m-20 -69.29 116.61 9.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.445 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 32.6 mt -72.4 117.22 13.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 28' ' ' ASP . 49.9 m-85 -118.22 171.2 8.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.9 p -101.83 -173.0 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.76 -7.82 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.67 -78.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.492 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 56.2 m -40.8 -37.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 39' ' ' HIS . 65.2 t80 -65.35 -61.51 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 49.0 mmm-85 -58.45 -21.1 50.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -72.28 -53.14 13.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.8 -44.1 1.99 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' PHE . 48.6 m80 -78.08 41.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 30.5 t70 -133.83 7.1 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.571 ' N ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -134.95 -48.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.779 ' O ' HD22 ' A' ' 44' ' ' LEU . 7.2 t80 -50.44 -176.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -75.3 46.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.779 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -55.1 -15.44 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -45.4 -25.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLN . 50.2 mt-10 -104.9 -35.19 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -59.28 77.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.7 mm-40 -70.74 116.68 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.448 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 1.4 p -102.53 165.21 11.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.2 m -140.14 152.81 68.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.695 0.76 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 85.38 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.9 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.784 0.243 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.565 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -102.29 175.68 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.9 t -44.32 128.66 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.93 -0.6 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.449 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.6 mm -103.35 -62.29 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 p -96.88 -30.5 13.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.565 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 4.5 m120 69.88 38.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 15.6 pt-20 -102.94 -50.23 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.498 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 5.9 m-20 -167.78 107.69 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.69 128.8 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 p -119.8 -2.62 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -141.31 154.82 45.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.4 ttt85 -130.11 105.71 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.5 t -75.15 126.66 31.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.42 -37.96 31.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.14 -20.19 72.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 m -100.99 26.06 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.2 t0 68.21 45.82 1.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.72 35.28 89.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -70.88 117.56 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.613 HD22 ' CD2' ' A' ' 52' ' ' TYR . 30.6 mt -73.4 119.3 17.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -119.56 169.86 9.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.9 p -100.31 -172.53 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.25 -4.74 59.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.539 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.54 -78.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.539 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 60.4 m -39.42 -38.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 39' ' ' HIS . 64.4 t80 -66.22 -59.23 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -62.09 -13.59 28.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -84.29 -47.4 10.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.65 -42.1 1.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' PHE . 44.9 m80 -79.59 42.49 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 6.1 t70 -132.31 1.12 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.546 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.6 -41.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.642 ' O ' HD22 ' A' ' 44' ' ' LEU . 7.2 t80 -51.91 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.57 45.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.642 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -59.46 -18.62 41.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.18 -21.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' GLN . 13.9 mm-40 -111.65 -36.87 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -55.27 86.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' GLU . 62.9 mm-40 -79.75 114.48 18.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -97.62 171.67 8.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.7 m -148.5 155.27 42.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.613 ' CD2' HD22 ' A' ' 29' ' ' LEU . 68.6 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.829 0.262 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.494 ' NE1' ' OD1' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -104.91 -179.85 4.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.493 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 49.6 t -54.22 133.51 44.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.47 3.94 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.442 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.3 mm -109.52 -62.25 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 p -95.24 -27.2 15.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.494 ' OD1' ' NE1' ' A' ' 10' ' ' TRP . 2.2 m-80 64.2 39.52 7.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 24.6 pt-20 -103.98 -52.65 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 1.2 p30 -168.74 105.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -76.84 129.08 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.6 p -117.68 0.24 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 31' ' ' CYS . 4.3 mt -145.08 152.25 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -127.99 108.95 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.1 t -77.77 126.71 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.76 -37.31 30.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.36 -20.2 75.04 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 m -101.08 27.75 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.53 48.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.28 32.64 68.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.97 122.64 18.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.511 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 58.4 mt -79.99 115.74 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -115.9 171.3 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.43 ' O ' HD12 ' A' ' 20' ' ' LEU . 26.1 p -103.09 -171.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.16 -7.5 58.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.54 -79.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.2 m -38.21 -37.83 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 73.6 t80 -67.28 -64.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 3.7 ptm85 -55.96 -15.07 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -79.3 -49.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.79 -41.79 1.79 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 54.6 m80 -77.55 42.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -132.51 3.99 3.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.603 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -134.41 -44.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.65 ' O ' HD22 ' A' ' 44' ' ' LEU . 2.5 t80 -51.04 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -78.04 40.84 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.769 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.5 mm? -48.08 -26.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' CD ' ' HG3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -37.98 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HG3' ' CD ' ' A' ' 45' ' ' LYS . 10.9 mt-10 -102.59 -35.88 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' LEU . 16.8 m-70 -62.08 74.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' GLU . 40.5 mm-40 -67.59 100.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.1 p -79.3 -177.51 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.202 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.26 145.0 11.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.699 0.762 . . . . 0.0 110.842 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 79.44 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.379 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.3 t80 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.908 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.774 0.239 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.51 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -101.7 177.53 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.2 t -46.4 132.42 10.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -71.71 1.5 6.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mm -106.17 -63.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 p -94.6 -32.29 13.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.51 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.6 m120 72.0 35.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 15.6 pt-20 -98.87 -53.14 3.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 1.1 p30 -168.05 105.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -76.52 134.17 39.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.9 p -122.55 -4.41 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -141.32 155.44 45.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -130.78 108.26 9.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.07 124.21 27.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.93 -31.88 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.03 -15.38 81.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 m -105.74 27.21 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 69.48 40.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.92 34.33 89.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -68.85 120.65 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.53 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 60.9 mt -76.44 118.65 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -119.9 166.71 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.8 p -97.86 -172.46 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.44 -7.11 59.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -104.74 -78.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.4 m -38.93 -35.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' HIS . 76.8 t80 -69.64 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -59.72 -10.25 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -83.2 -49.37 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.61 -38.54 2.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 35' ' ' PHE . 34.6 m80 -78.83 41.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -133.86 3.69 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.59 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -133.38 -44.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.663 ' O ' HD22 ' A' ' 44' ' ' LEU . 5.3 t80 -52.16 -174.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.22 44.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -55.83 -13.95 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -20.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' GLN . 14.1 mm-40 -111.84 -34.46 6.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -60.35 83.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 46' ' ' GLU . 93.2 mm-40 -78.32 117.29 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -100.61 -178.84 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -163.96 157.2 15.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.2 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.403 ' CG ' HD22 ' A' ' 29' ' ' LEU . 84.2 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.769 0.237 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.506 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -107.15 179.03 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -49.44 132.02 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.19 0.75 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mm -106.23 -66.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -92.5 -30.17 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.506 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.7 m120 70.75 33.21 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -94.54 -58.1 2.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -163.38 105.08 0.97 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.564 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -78.54 127.98 32.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 p -119.2 -1.05 10.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -140.84 152.11 44.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -128.77 106.26 8.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.45 ' HA ' HG22 ' A' ' 49' ' ' THR . 38.1 t -75.36 126.33 30.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.22 34.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.72 -20.22 70.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -102.47 30.3 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 63.79 47.87 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.82 38.18 91.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.466 ' CG ' ' CE2' ' A' ' 30' ' ' TYR . 19.7 t0 -71.05 120.82 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.564 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 37.3 mt -77.28 115.66 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.466 ' CE2' ' CG ' ' A' ' 28' ' ' ASP . 40.5 m-85 -117.19 171.18 8.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -102.72 -172.16 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.96 -4.03 59.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 1.8 tmt_? -107.28 -78.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.6 m -39.96 -37.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 65.3 t80 -65.92 -56.7 10.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -65.79 -7.14 14.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -88.95 -40.78 12.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.539 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -113.76 -38.34 1.19 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.5 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 57.0 m80 -83.52 44.25 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -134.43 -2.59 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -131.53 -29.07 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.719 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.7 t80 -65.56 -175.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -75.0 43.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -57.75 -12.6 3.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -50.26 -17.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' GLN . 28.0 mt-10 -116.41 -32.01 5.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -59.71 76.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' GLU . 18.6 mm-40 -71.79 100.46 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 22' ' ' CYS . 1.7 p -78.87 179.01 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m -150.04 147.06 21.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.663 0.744 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 80.26 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.912 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.764 0.235 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.472 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -110.38 179.71 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.502 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 49.4 t -50.59 129.6 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.3 t -68.2 -1.83 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.422 HG21 ' SG ' ' A' ' 34' ' ' CYS . 3.9 mm -102.64 -66.2 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 p -91.26 -31.32 16.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.429 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.5 m120 71.1 33.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -98.58 -65.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -152.03 105.2 3.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.502 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -81.65 129.85 34.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 1.6 t -124.08 12.05 8.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' C ' ' A' ' 19' ' ' THR . 12.1 mt -150.2 155.79 40.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -134.11 105.69 6.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 37.3 t -76.57 125.35 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.7 -33.58 35.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.61 78.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.536 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m -102.21 25.85 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 70.96 41.77 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.401 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 65.31 26.22 71.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -63.66 121.57 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.691 HD13 ' CE1' ' A' ' 52' ' ' TYR . 61.0 mt -78.59 125.39 29.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -124.12 172.71 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.8 p -104.31 -172.63 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.31 -7.66 58.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.544 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -101.91 -79.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 58.4 m -40.77 -41.03 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 57.1 t80 -61.14 -62.22 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -61.57 -8.98 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.69 -39.21 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.19 -44.76 1.06 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.506 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 68.7 m80 -78.88 43.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -130.75 4.26 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.636 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -134.8 -46.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.716 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.6 t80 -50.35 -177.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -77.52 43.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.777 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.5 mm? -51.33 -16.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -43.21 -25.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.68 -38.91 6.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -57.0 94.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -90.03 107.78 19.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.0 p -89.35 168.3 12.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -148.13 157.78 42.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 89.91 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.392 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.691 ' CE1' HD13 ' A' ' 29' ' ' LEU . 34.6 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 CA-C-O 120.779 0.241 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.511 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -107.6 174.9 5.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 34.6 t -44.65 126.54 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.16 -3.04 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -101.47 -65.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 p -94.22 -28.76 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.511 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.1 m120 68.03 36.45 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -101.04 -56.51 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -159.92 104.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.76 119.81 24.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.748 HG23 ' HG ' ' A' ' 20' ' ' LEU . 14.6 t -112.05 8.15 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.748 ' HG ' HG23 ' A' ' 19' ' ' THR . 9.0 mt -150.03 155.22 39.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -130.45 110.49 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.65 123.61 26.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.08 -33.23 39.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.75 -21.62 79.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -97.86 26.28 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 68.69 42.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.22 34.38 87.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -72.19 115.69 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 52' ' ' TYR . 13.6 mt -74.14 122.72 23.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -121.91 169.45 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.36 -172.19 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.69 -8.46 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.482 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 1.4 tmt_? -101.18 -78.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.482 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 56.9 m -40.93 -38.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.592 ' CZ ' HG21 ' A' ' 49' ' ' THR . 61.2 t80 -65.32 -63.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -59.64 -11.62 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -84.48 -47.93 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.8 -40.62 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' PHE . 39.4 m80 -78.43 41.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -133.92 4.02 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.578 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.34 -43.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.578 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 4.6 t80 -52.37 -172.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -77.38 39.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.502 HD22 ' H ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -50.29 -20.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.48 -22.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . 14.8 mm-40 -108.7 -36.78 6.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -60.41 85.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -80.35 111.27 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.592 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 2.9 p -86.88 171.46 10.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.4 m -148.57 153.84 40.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 91.76 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CD2' HD22 ' A' ' 29' ' ' LEU . 65.4 t80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.147 0 CA-C-O 120.801 0.25 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.5 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -102.84 177.37 4.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.413 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 42.0 t -47.75 129.31 13.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.8 -1.31 5.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -104.07 -65.97 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -92.57 -29.01 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 3.0 m120 68.48 34.16 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -98.12 -58.08 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -160.0 105.06 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -80.16 121.25 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.724 HG23 ' HG ' ' A' ' 20' ' ' LEU . 11.5 t -113.9 9.72 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.724 ' HG ' HG23 ' A' ' 19' ' ' THR . 7.9 mt -150.92 155.15 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -132.97 106.62 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.4 t -75.43 124.76 27.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.58 -33.73 35.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.8 -19.05 79.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.526 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -101.25 26.4 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.8 t70 69.66 41.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.76 30.87 78.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.05 116.64 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.601 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 49.4 mt -73.5 131.23 41.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -131.04 169.87 15.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -100.2 -172.21 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.97 -8.2 58.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.38 -78.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.524 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 60.5 m -38.33 -38.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 70.3 t80 -66.47 -61.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -57.07 -18.1 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.08 -51.81 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.26 -39.38 1.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.545 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 33.2 m80 -76.67 41.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.842 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -134.97 0.78 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.557 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.31 -42.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.636 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.7 t80 -51.05 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.469 ' CB ' ' HE3' ' A' ' 45' ' ' LYS . 93.8 m-20 -75.9 42.35 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -53.19 -15.57 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HE3' ' CB ' ' A' ' 43' ' ' ASP . 10.9 pttp -46.35 -21.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -110.18 -30.94 7.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -67.66 89.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.785 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -85.43 111.33 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -93.32 172.17 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -150.81 156.27 35.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.693 0.759 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 84.17 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.788 0.245 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.535 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -105.04 177.73 4.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.7 t -48.27 128.66 14.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -66.91 -2.43 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.478 HG21 ' SG ' ' A' ' 34' ' ' CYS . 3.6 mm -102.25 -66.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 p -92.74 -28.95 16.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.535 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 4.4 m120 68.64 36.07 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -98.94 -57.24 2.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -161.25 105.41 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.42 123.22 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.697 HG23 ' HG ' ' A' ' 20' ' ' LEU . 8.6 t -117.07 7.93 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.697 ' HG ' HG23 ' A' ' 19' ' ' THR . 5.7 mt -149.14 151.58 34.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -128.4 107.33 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.52 ' HA ' HG22 ' A' ' 49' ' ' THR . 48.0 t -76.51 125.01 28.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.86 -38.87 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.72 -19.02 70.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.447 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -103.18 27.8 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 68.58 46.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 58.01 30.57 63.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -64.88 126.2 27.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.53 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 59.2 mt -80.41 118.77 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -118.52 177.29 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.9 p -111.06 -174.11 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.58 -9.19 59.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.652 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -100.95 -81.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.478 ' SG ' HG21 ' A' ' 13' ' ' ILE . 57.0 m -39.12 -36.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' HIS . 71.4 t80 -68.81 -61.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 8.8 ptm180 -59.03 -14.35 9.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' CG ' ' HD2' ' A' ' 33' ' ' ARG . 18.6 mm-40 -78.33 -51.15 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.73 -38.85 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' PHE . 35.4 m80 -79.35 40.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 110.827 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -134.01 3.61 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.663 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -132.64 -47.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.735 ' O ' HD22 ' A' ' 44' ' ' LEU . 6.6 t80 -50.48 -178.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -75.6 47.45 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -56.47 -13.62 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -19.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -112.96 -19.76 11.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -75.88 48.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -48.7 106.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 22' ' ' CYS . 1.1 p -85.43 173.84 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 t -140.98 148.71 53.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 80.46 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.754 0.231 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.36 169.65 9.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.49 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.2 t -46.54 127.77 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.8 t -67.68 -1.74 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.429 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.9 mm -101.02 -65.7 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 p -92.49 -29.63 16.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 4.1 m120 71.49 35.27 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -100.04 -54.17 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -168.5 109.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -88.23 124.18 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.604 HG23 ' HG ' ' A' ' 20' ' ' LEU . 6.0 t -115.67 11.03 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.604 ' HG ' HG23 ' A' ' 19' ' ' THR . 6.9 mt -146.22 149.45 33.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -126.29 107.31 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.8 t -78.2 123.99 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.68 -36.95 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.25 -20.7 73.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 3.6 m -100.51 31.64 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 12.9 m-20 64.47 38.78 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.77 30.72 72.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -70.48 121.48 17.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.664 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 84.4 mt -77.38 132.97 38.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -129.25 176.55 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -107.71 -171.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.6 -7.63 58.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.53 -78.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.516 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 60.6 m -40.7 -37.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 39' ' ' HIS . 67.4 t80 -66.92 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -59.2 -11.28 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.54 -49.83 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.5 -39.15 2.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' PHE . 35.5 m80 -78.47 40.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -133.48 3.71 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.589 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -133.0 -44.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.622 ' O ' HD22 ' A' ' 44' ' ' LEU . 4.8 t80 -52.08 -174.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.29 42.96 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.622 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -53.84 -18.31 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -43.41 -22.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLN . 17.2 mm-40 -109.23 -36.92 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -57.48 83.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' GLU . 38.3 mm-40 -78.72 109.45 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 p -90.16 -179.54 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.5 p -163.26 153.51 13.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 85.24 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.664 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 84.7 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 CA-C-O 120.813 0.255 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.54 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -111.27 177.55 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.413 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.8 t -47.55 127.09 10.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.5 t -66.23 -3.14 5.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mm -101.89 -62.65 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 p -95.77 -28.22 14.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.54 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.7 m120 66.32 37.36 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 10.4 pt-20 -103.88 -51.44 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 2.1 p-10 -164.12 107.15 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -85.67 121.29 28.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.704 HG23 ' HG ' ' A' ' 20' ' ' LEU . 10.1 t -113.8 9.25 17.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.704 ' HG ' HG23 ' A' ' 19' ' ' THR . 6.8 mt -150.35 148.57 28.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' THR . 6.4 ttp180 -125.14 110.48 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.23 126.28 30.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.92 -32.74 30.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.79 -18.62 79.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.6 25.56 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t0 70.05 43.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.76 35.03 91.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -72.28 123.75 23.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.568 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 17.5 mt -80.92 119.15 23.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -116.97 177.65 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' O ' HD12 ' A' ' 20' ' ' LEU . 17.8 p -109.0 -172.79 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.81 -6.58 59.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 1.7 tmt_? -104.22 -78.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 59.0 m -39.74 -40.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.616 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 61.9 t80 -64.31 -57.75 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -63.78 -11.99 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -86.43 -40.31 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.83 -43.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.616 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 50.4 m80 -77.38 45.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -133.15 2.94 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.574 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.77 -43.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.651 ' O ' HD22 ' A' ' 44' ' ' LEU . 2.3 t80 -51.08 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.489 ' OD1' ' CG ' ' A' ' 45' ' ' LYS . 21.5 t70 -76.98 39.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.733 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.6 mm? -45.09 -21.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' CG ' ' OD1' ' A' ' 43' ' ' ASP . 10.3 ptpt -50.07 -31.67 13.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -95.99 -24.12 16.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -77.48 98.22 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -86.42 106.13 17.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' ARG . 1.3 p -97.64 159.68 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 m -144.53 158.75 53.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 91.81 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CD2' HD22 ' A' ' 29' ' ' LEU . 70.8 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.157 0 CA-C-O 120.805 0.252 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.27 176.55 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 33.7 t -47.11 128.34 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -68.39 -0.91 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mm -103.75 -64.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 p -93.86 -30.79 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 m120 71.06 33.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -97.37 -63.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -157.0 105.2 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -80.53 139.77 36.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.1 p -131.08 1.43 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -142.55 149.08 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -125.64 106.09 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.5 t -76.56 126.34 30.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.71 -36.79 36.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.39 -19.91 74.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.3 m -102.75 31.21 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 62.82 49.66 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.51 37.74 68.09 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -72.12 118.71 15.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 mt -73.79 116.03 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -117.2 168.98 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.05 -173.06 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.87 -5.63 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.17 -79.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 59.1 m -40.87 -39.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 70.9 t80 -66.53 -61.83 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 3.6 ptm85 -57.62 -12.45 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -82.25 -51.53 7.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.78 -38.85 2.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 38.0 m80 -78.28 40.95 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -134.57 2.59 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.532 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -131.17 -42.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.718 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.1 t80 -52.56 -172.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 45' ' ' LYS . 3.3 m-20 -79.0 37.31 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -43.81 -22.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 43' ' ' ASP . 24.2 pttt -43.02 -27.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -102.24 -35.77 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -62.16 82.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -75.03 102.07 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.14 178.94 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.86 145.36 17.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 110.824 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 79.55 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.6 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.89 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.231 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.55 179.01 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.4 t -51.99 128.45 24.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.55 -1.97 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.431 HG21 ' SG ' ' A' ' 34' ' ' CYS . 6.6 mm -102.43 -66.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.9 p -90.74 -31.89 16.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 m120 73.81 33.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -97.62 -65.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -155.49 105.53 2.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -79.77 128.14 33.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.746 HG23 ' HG ' ' A' ' 20' ' ' LEU . 8.9 t -121.65 8.07 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.746 ' HG ' HG23 ' A' ' 19' ' ' THR . 5.3 mt -150.19 150.44 31.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 49' ' ' THR . 17.2 ttt85 -125.34 108.59 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.5 t -80.98 125.85 30.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.96 -36.24 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.46 -18.65 73.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.76 28.66 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 68.47 44.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.06 31.9 74.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -71.27 125.68 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.607 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 63.2 mt -79.43 120.41 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -117.7 166.14 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 p -99.74 -172.07 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.25 -6.97 59.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 4.6 tmt_? -103.61 -78.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.528 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.7 m -41.33 -28.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.502 ' CD1' ' HB2' ' A' ' 39' ' ' HIS . 59.3 t80 -82.23 -58.33 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -66.02 -7.23 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -97.71 -40.95 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.548 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -107.57 -38.98 1.98 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.502 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 51.9 m80 -84.33 44.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -134.65 -0.49 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -133.07 -27.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.791 ' O ' HD22 ' A' ' 44' ' ' LEU . 6.9 t80 -67.64 -175.16 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -74.72 45.49 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -59.73 -11.08 4.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -19.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 48' ' ' GLN . 38.5 mt-10 -114.24 -33.97 5.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -57.48 86.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 46' ' ' GLU . 71.5 mm-40 -81.98 112.02 18.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.412 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 7.7 p -95.7 179.89 4.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -161.2 156.86 21.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 80.24 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 87.0 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.123 0 CA-C-O 120.786 0.244 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.536 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -105.3 176.07 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 t -46.2 126.79 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -66.33 -2.83 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -101.64 -64.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.41 -28.46 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.536 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.3 m120 68.05 35.1 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.56 -57.2 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.45 105.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -80.56 127.0 31.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 p -116.91 -4.52 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -136.98 153.35 50.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -129.68 103.31 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.609 ' HA ' HG22 ' A' ' 49' ' ' THR . 38.7 t -72.73 125.57 27.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.65 -38.99 38.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.63 -19.96 69.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.7 m -102.23 25.84 8.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.7 t0 69.87 43.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 62.21 29.62 73.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -63.68 119.8 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD13 ' CE2' ' A' ' 52' ' ' TYR . 32.8 mt -75.48 116.95 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -117.13 173.93 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -104.83 -172.84 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.12 -6.01 59.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.545 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -104.39 -78.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.545 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 57.5 m -40.57 -39.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' HIS . 64.4 t80 -63.87 -57.11 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 14.5 mtp-105 -65.63 -5.89 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.18 -42.87 10.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.525 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -111.17 -37.2 1.69 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.512 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.481 ' HA ' HD11 ' A' ' 44' ' ' LEU . 59.7 m80 -84.68 43.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -135.03 0.18 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -133.96 -29.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.842 ' O ' HD22 ' A' ' 44' ' ' LEU . 4.6 t80 -64.76 -174.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.94 41.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.842 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -50.97 -20.81 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -40.56 -27.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' LEU . 27.9 mm-40 -103.2 -33.89 9.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -63.93 93.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -92.92 103.94 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.609 HG22 ' HA ' ' A' ' 22' ' ' CYS . 10.0 p -84.92 171.49 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 m -144.44 158.09 54.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 82.9 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.621 ' CE2' HD13 ' A' ' 29' ' ' LEU . 59.1 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.466 -0.14 0 CA-C-O 120.765 0.235 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.64 178.59 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 t -52.92 124.03 13.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -63.58 -6.33 5.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.495 HG21 ' SG ' ' A' ' 34' ' ' CYS . 4.8 mm -96.1 -66.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 p -92.47 -32.63 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 74.45 32.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -95.33 -61.81 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -162.45 105.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -79.34 131.18 36.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.411 HG23 ' HG ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -123.29 2.83 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.535 HD13 ' CD2' ' A' ' 35' ' ' PHE . 4.2 mt -142.0 149.41 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -124.72 104.44 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.88 125.06 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.9 -36.74 41.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.93 -16.11 72.26 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.4 m -105.47 30.17 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.9 t0 66.0 38.78 4.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.47 27.34 73.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -63.89 126.66 28.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.589 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 50.2 mt -80.62 125.51 30.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -124.37 169.04 12.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.6 p -102.66 -172.32 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.69 -6.82 59.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 3.0 tmt_? -103.77 -78.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 38.3 m -42.93 -27.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.694 ' CZ ' HG21 ' A' ' 49' ' ' THR . 49.5 t80 -79.63 -60.61 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -65.1 -15.05 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.515 ' CD ' ' C ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -89.13 -44.4 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' CA ' ' OE2' ' A' ' 37' ' ' GLU . . . -98.68 -45.54 2.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 35' ' ' PHE . 68.0 m80 -82.46 42.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.819 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -131.11 6.91 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.668 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -135.01 -48.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.668 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 5.7 t80 -51.32 -174.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.64 43.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.472 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -52.11 -16.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -44.47 -23.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -106.38 -36.42 6.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -58.58 88.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -82.92 115.99 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.694 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -96.91 174.96 6.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 p -152.34 152.17 28.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 85.17 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.733 0.222 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -97.17 177.7 5.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.458 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 36.4 t -49.44 127.88 16.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.35 -2.13 5.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -102.08 -65.66 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 p -93.23 -30.06 15.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 m120 71.27 34.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.83 -63.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -156.39 104.99 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -82.06 128.79 34.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.41 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 1.1 t -122.63 8.23 9.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HG ' ' C ' ' A' ' 19' ' ' THR . 7.0 mt -148.18 151.07 34.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -128.58 105.75 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.586 ' HA ' HG22 ' A' ' 49' ' ' THR . 43.7 t -75.59 126.74 31.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.13 -37.56 33.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.21 -20.17 72.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m -101.47 27.32 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 67.61 45.17 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.3 34.19 87.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 11.1 m-20 -68.93 121.46 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 33.7 mt -77.66 116.56 18.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 28' ' ' ASP . 48.8 m-85 -117.44 167.38 11.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.3 p -98.21 -172.54 2.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.91 -7.03 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.24 -79.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.512 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 61.0 m -38.16 -29.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 82.1 t80 -80.94 -55.41 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -63.39 -16.75 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 38' ' ' GLY . 2.9 pt-20 -89.43 -42.57 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.5 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -98.84 -48.37 1.78 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.613 ' HA ' HD11 ' A' ' 44' ' ' LEU . 73.6 m80 -79.05 44.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.32 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -130.81 0.38 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -134.93 -40.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.836 ' O ' HD22 ' A' ' 44' ' ' LEU . 1.6 t80 -51.91 -173.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.501 ' CB ' ' HE2' ' A' ' 45' ' ' LYS . 1.4 m-20 -79.02 38.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -44.21 -26.76 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' HE2' ' CB ' ' A' ' 43' ' ' ASP . 18.3 pttt -39.29 -25.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 44' ' ' LEU . 82.3 mt-10 -105.01 -35.79 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -64.78 91.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -88.32 100.4 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 22' ' ' CYS . 4.0 p -80.66 175.33 10.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 t -147.71 150.95 37.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.699 0.762 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 80.08 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 75.4 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.79 0.246 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.479 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -113.76 177.11 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' ASN . 35.8 t -48.6 125.71 10.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.76 -4.96 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -98.96 -64.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.421 ' SG ' ' HG3' ' A' ' 16' ' ' GLU . 3.2 p -94.55 -30.07 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.479 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 8.8 m120 69.18 37.89 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 17' ' ' ASP . 3.1 pp20? -101.85 -52.86 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 22.7 t0 -165.93 105.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.51 125.69 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.674 HG23 ' HG ' ' A' ' 20' ' ' LEU . 8.7 t -118.97 10.02 12.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.674 ' HG ' HG23 ' A' ' 19' ' ' THR . 7.1 mt -150.13 151.71 33.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -129.98 105.73 8.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.47 125.31 28.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.78 -35.75 43.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.34 -19.03 75.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.2 m -103.88 31.38 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 63.12 47.26 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.55 38.85 92.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -73.08 120.43 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.559 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 36.9 mt -75.2 123.89 26.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.18 172.06 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' O ' HD12 ' A' ' 20' ' ' LEU . 13.1 p -102.04 -172.83 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 36' ' ' ARG . . . -85.25 -6.37 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.59 -78.18 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 63.6 m -38.28 -38.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 39' ' ' HIS . 72.1 t80 -65.95 -57.54 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 33.7 mmm-85 -61.52 -15.35 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.14 -49.32 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.551 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -103.83 -40.91 2.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 35' ' ' PHE . 57.6 m80 -82.24 42.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -134.64 -2.1 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -134.44 -23.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.645 ' O ' HD22 ' A' ' 44' ' ' LEU . 5.4 t80 -69.09 -174.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.46 40.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.686 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.2 mm? -54.08 -14.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -47.11 -20.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -113.42 -28.49 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -67.19 87.74 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -85.45 102.72 13.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.1 p -80.23 171.38 15.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.3 p -145.13 152.66 51.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 80.36 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 75.3 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.885 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.773 0.239 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.417 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -115.44 175.35 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.5 t -45.79 125.23 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.73 -2.99 4.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -100.56 -64.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.65 -29.51 14.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.417 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 3.1 m120 70.44 33.54 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -94.94 -62.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.72 105.13 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -77.82 129.83 35.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -122.31 0.45 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt -142.72 151.11 40.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 58.0 ttt-85 -128.38 101.52 6.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.22 128.52 36.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.17 -36.54 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.44 -18.29 75.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.9 m -102.97 27.37 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 65.26 44.11 3.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.489 ' HA3' ' CZ ' ' A' ' 21' ' ' ARG . . . 66.23 27.67 73.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.609 ' CG ' ' CE2' ' A' ' 30' ' ' TYR . 14.8 t0 -61.8 114.66 3.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.565 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 41.8 mt -73.36 122.18 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 28' ' ' ASP . 44.8 m-85 -123.05 170.91 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 p -102.36 -172.27 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.05 -7.46 58.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.502 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.93 -78.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.502 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.1 m -40.67 -41.43 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.523 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 77.6 t80 -61.08 -61.21 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 11.4 mtp-105 -60.81 -9.66 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.45 -41.08 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.31 -43.47 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.523 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 55.9 m80 -78.64 43.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -133.58 1.52 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.526 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -132.23 -43.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.791 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.3 t80 -51.64 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -77.68 41.07 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -47.22 -23.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.72 -27.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 47' ' ' HIS . 8.6 pt-20 -103.1 -33.02 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.484 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 18.7 m-70 -64.59 100.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -95.21 107.11 19.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.8 p -87.1 173.24 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.7 m -150.23 152.84 34.21 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.703 0.763 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 81.31 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.793 0.247 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.12 176.87 4.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 36.4 t -48.9 128.41 15.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.69 -1.96 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.412 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.7 mm -102.05 -64.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 p -93.48 -30.56 14.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 m120 70.39 33.1 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -96.6 -63.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -155.76 105.24 2.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.455 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -80.79 132.35 35.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.4 p -122.28 -1.88 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 31' ' ' CYS . 2.9 mt -140.29 154.48 46.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -131.09 105.26 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.59 ' HA ' HG22 ' A' ' 49' ' ' THR . 48.7 t -71.17 124.39 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.09 -36.91 40.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.98 -18.75 74.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 m -102.38 26.84 7.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t0 69.4 41.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 65.41 31.02 78.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.536 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.06 121.02 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.404 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 66.5 mt -77.01 117.28 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -118.57 173.02 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' O ' HD12 ' A' ' 20' ' ' LEU . 19.3 p -105.19 -172.05 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.37 -10.91 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -100.01 -77.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.512 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.2 m -40.68 -40.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 39' ' ' HIS . 62.8 t80 -63.95 -57.08 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -66.14 -4.36 7.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -96.11 -38.92 9.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.531 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -109.92 -39.4 1.57 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.505 ' HD2' HD12 ' A' ' 44' ' ' LEU . 65.1 m80 -85.93 45.2 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.778 0.323 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -134.98 1.28 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -133.94 -29.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.68 ' O ' HD22 ' A' ' 44' ' ' LEU . 2.8 t80 -66.7 -175.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.416 ' CG ' ' HE2' ' A' ' 45' ' ' LYS . 8.2 m-20 -76.84 42.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.735 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.3 mm? -52.68 -16.32 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HE2' ' CG ' ' A' ' 43' ' ' ASP . 24.2 pttt -44.03 -22.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 44' ' ' LEU . 25.3 mt-10 -110.15 -31.31 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -65.91 89.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -88.34 114.14 24.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 22' ' ' CYS . 21.7 p -94.38 171.95 8.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 p -144.35 156.17 57.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 79.9 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 73.0 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.903 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -130.0 -60.73 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -56.22 117.06 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.63 -118.23 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -88.75 158.2 18.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -102.72 -55.97 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.58 85.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.574 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 13.8 mt -73.71 152.57 89.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.64 37.56 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.649 2.233 . . . . 0.0 112.37 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.574 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -109.08 176.06 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.425 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 38.3 t -45.3 128.79 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.6 t -67.51 -2.25 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.433 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.4 mm -102.26 -65.38 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 p -93.12 -30.06 15.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.541 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 6.9 m120 69.18 35.58 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 10.7 pt-20 -100.56 -52.36 3.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.48 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 21.0 t0 -165.31 107.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -84.09 127.52 33.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.756 HG23 ' HG ' ' A' ' 20' ' ' LEU . 12.2 t -120.38 7.6 10.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.756 ' HG ' HG23 ' A' ' 19' ' ' THR . 5.8 mt -148.39 154.66 40.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -132.45 108.23 9.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 38.2 t -77.84 124.11 27.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.08 -33.91 44.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.64 -20.29 78.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.8 m -101.04 26.87 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.8 t70 69.99 42.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.07 33.11 84.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.2 118.28 12.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 8' ' ' LEU . 20.6 mt -74.01 123.1 23.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -122.77 172.6 8.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.8 p -103.09 -172.47 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.26 -8.16 58.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.23 -78.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.9 m -40.51 -37.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.463 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 68.9 t80 -65.78 -64.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -57.98 -11.57 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -77.88 -51.15 10.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.29 -36.84 2.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.463 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 34.1 m80 -78.38 40.23 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -134.92 5.53 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.602 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -133.93 -44.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.602 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 5.3 t80 -52.73 -172.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.85 39.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.449 HD22 ' H ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -49.8 -19.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -42.22 -23.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' GLN . 49.6 mm-40 -107.5 -37.28 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -58.61 78.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' GLU . 45.3 mm-40 -74.49 111.25 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 p -92.69 165.78 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.1 m -140.9 153.3 67.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.713 0.768 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 81.18 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.748 2.298 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.473 ' CG ' HD22 ' A' ' 29' ' ' LEU . 75.0 t80 -74.94 141.31 44.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.463 ' CD2' ' H ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -131.48 100.16 16.76 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -173.01 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.713 2.276 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.473 ' N ' ' HD2' ' A' ' 55' ' ' ARG . 2.3 mpt_? -77.57 50.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 29.4 mtp180 35.31 52.5 1.58 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 53.5 Cg_endo -69.77 -50.51 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.6 t -127.62 44.85 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' C ' ' CD ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -74.52 176.48 6.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.58 160.81 36.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -125.53 65.57 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 m -156.44 164.21 38.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.7 -158.18 18.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 140.56 42.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.56 150.6 51.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.2 t -137.15 133.77 35.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.48 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -97.89 119.47 36.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -86.6 176.17 7.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.53 -51.58 0.96 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -126.76 132.49 51.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 110.895 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 t -78.65 -64.07 1.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.56 140.16 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.006 ' O ' HD12 ' A' ' 29' ' ' LEU . 5.7 mt -125.68 151.65 71.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.88 12.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.37 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.571 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -126.99 177.27 6.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ASN . 37.8 t -55.4 124.75 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.5 t -65.12 -2.74 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.433 HG21 ' SG ' ' A' ' 34' ' ' CYS . 4.6 mm -99.86 -62.08 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 4.8 p -97.48 -24.93 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.484 ' OD1' HD13 ' A' ' 8' ' ' LEU . 1.8 m-80 65.07 35.04 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -98.97 -63.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -159.15 105.11 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -77.92 130.03 36.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.445 HG23 ' HG ' ' A' ' 20' ' ' LEU . 1.8 t -121.37 7.86 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HG ' HG23 ' A' ' 19' ' ' THR . 9.3 mt -149.81 152.2 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -128.9 105.94 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HA ' HG22 ' A' ' 49' ' ' THR . 35.1 t -77.29 124.58 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.65 49.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.2 -20.97 71.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.9 m -102.39 32.31 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 63.27 45.77 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.5 34.17 79.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.425 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 18.9 m-20 -69.29 116.61 9.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.006 HD12 ' O ' ' A' ' 8' ' ' LEU . 32.6 mt -72.4 117.22 13.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 28' ' ' ASP . 49.9 m-85 -118.22 171.2 8.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.9 p -101.83 -173.0 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.76 -7.82 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.67 -78.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.492 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 56.2 m -40.8 -37.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 39' ' ' HIS . 65.2 t80 -65.35 -61.51 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 49.0 mmm-85 -58.45 -21.1 50.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -72.28 -53.14 13.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.8 -44.1 1.99 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' PHE . 48.6 m80 -78.08 41.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 30.5 t70 -133.83 7.1 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.571 ' N ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -134.95 -48.97 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.779 ' O ' HD22 ' A' ' 44' ' ' LEU . 7.2 t80 -50.44 -176.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -75.3 46.38 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.779 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -55.1 -15.44 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -45.4 -25.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLN . 50.2 mt-10 -104.9 -35.19 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -59.28 77.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.7 mm-40 -70.74 116.68 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.448 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 1.4 p -102.53 165.21 11.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.2 m -140.14 152.81 68.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.695 0.76 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 85.38 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -83.69 141.66 31.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 83.6 m-70 -141.22 107.36 6.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 110.888 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 54.0 Cg_endo -69.76 179.04 3.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.636 2.224 . . . . 0.0 112.408 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 56' ' ' ARG . 6.6 tmm_? -91.34 -33.74 15.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 1.1 mpt_? -35.52 -60.17 0.64 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.8 Cg_endo -69.79 -175.04 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.722 2.281 . . . . 0.0 112.344 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.8 p -171.82 132.41 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -88.87 128.12 35.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -128.91 160.57 32.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -100.59 97.36 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -133.68 140.71 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.53 65.56 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.44 1.16 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.0 p -123.86 133.42 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 m -48.52 133.49 16.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.493 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -102.76 144.55 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.0 p -88.07 43.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.33 49.53 0.59 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -128.04 47.66 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -162.04 157.3 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.48 87.21 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 15.8 mt -42.57 152.42 0.35 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.51 32.04 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.565 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -102.29 175.68 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.9 t -44.32 128.66 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.93 -0.6 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.449 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.6 mm -103.35 -62.29 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 p -96.88 -30.5 13.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.565 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 4.5 m120 69.88 38.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 15.6 pt-20 -102.94 -50.23 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.498 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 5.9 m-20 -167.78 107.69 0.56 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.69 128.8 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 p -119.8 -2.62 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -141.31 154.82 45.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.4 ttt85 -130.11 105.71 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.5 t -75.15 126.66 31.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.42 -37.96 31.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.14 -20.19 72.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 m -100.99 26.06 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.2 t0 68.21 45.82 1.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.72 35.28 89.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -70.88 117.56 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.613 HD22 ' CD2' ' A' ' 52' ' ' TYR . 30.6 mt -73.4 119.3 17.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -119.56 169.86 9.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.9 p -100.31 -172.53 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.25 -4.74 59.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.539 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.54 -78.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.539 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 60.4 m -39.42 -38.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 39' ' ' HIS . 64.4 t80 -66.22 -59.23 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -62.09 -13.59 28.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -84.29 -47.4 10.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.65 -42.1 1.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' PHE . 44.9 m80 -79.59 42.49 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 6.1 t70 -132.31 1.12 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.546 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.6 -41.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.642 ' O ' HD22 ' A' ' 44' ' ' LEU . 7.2 t80 -51.91 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.57 45.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.642 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -59.46 -18.62 41.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.18 -21.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' GLN . 13.9 mm-40 -111.65 -36.87 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -55.27 86.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' GLU . 62.9 mm-40 -79.75 114.48 18.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.5 p -97.62 171.67 8.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.7 m -148.5 155.27 42.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.613 ' CD2' HD22 ' A' ' 29' ' ' LEU . 68.6 t80 -95.61 149.7 21.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -142.8 114.85 6.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.693 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -173.14 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.38 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.8 ptp180 -83.6 51.68 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' ARG . 6.6 ptt180 33.95 54.69 1.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 54.0 Cg_endo -69.74 6.28 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.9 t -76.4 121.99 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -105.83 45.07 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -108.04 121.75 45.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -131.25 -50.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -166.02 163.91 18.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.9 128.31 3.55 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.63 114.22 3.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.385 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 m -81.41 91.16 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.6 p -117.0 151.11 37.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.811 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.503 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 p -60.77 -54.69 42.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -112.17 112.25 23.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -109.51 58.3 0.39 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 4' ' ' GLY . 37.4 p -36.97 141.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.802 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -164.53 149.62 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.0 115.53 0.98 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.995 ' O ' HD12 ' A' ' 29' ' ' LEU . 9.1 mt -56.9 155.38 15.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -28.87 24.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.528 ' HE1' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -104.91 -179.85 4.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.493 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 49.6 t -54.22 133.51 44.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.47 3.94 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.442 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.3 mm -109.52 -62.25 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 p -95.24 -27.2 15.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.494 ' OD1' ' NE1' ' A' ' 10' ' ' TRP . 2.2 m-80 64.2 39.52 7.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 24.6 pt-20 -103.98 -52.65 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 1.2 p30 -168.74 105.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -76.84 129.08 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.6 p -117.68 0.24 11.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 31' ' ' CYS . 4.3 mt -145.08 152.25 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -127.99 108.95 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.1 t -77.77 126.71 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.76 -37.31 30.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.36 -20.2 75.04 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 m -101.08 27.75 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 67.53 48.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.28 32.64 68.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.97 122.64 18.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.995 HD12 ' O ' ' A' ' 8' ' ' LEU . 58.4 mt -79.99 115.74 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -115.9 171.3 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.43 ' O ' HD12 ' A' ' 20' ' ' LEU . 26.1 p -103.09 -171.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.16 -7.5 58.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.54 -79.91 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.2 m -38.21 -37.83 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 73.6 t80 -67.28 -64.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 3.7 ptm85 -55.96 -15.07 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -79.3 -49.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.79 -41.79 1.79 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 54.6 m80 -77.55 42.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -132.51 3.99 3.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.603 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -134.41 -44.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.65 ' O ' HD22 ' A' ' 44' ' ' LEU . 2.5 t80 -51.04 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -78.04 40.84 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.769 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.5 mm? -48.08 -26.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' CD ' ' HG3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -37.98 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HG3' ' CD ' ' A' ' 45' ' ' LYS . 10.9 mt-10 -102.59 -35.88 8.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' LEU . 16.8 m-70 -62.08 74.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' GLU . 40.5 mm-40 -67.59 100.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.1 p -79.3 -177.51 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.202 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.26 145.0 11.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.699 0.762 . . . . 0.0 110.842 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 79.44 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.379 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.439 ' CG ' ' N ' ' A' ' 53' ' ' HIS . 94.3 t80 -68.52 164.1 21.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.439 ' N ' ' CG ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -160.4 105.89 1.35 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 53.6 Cg_endo -69.75 150.42 68.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -48.01 -63.76 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 8.9 tpp180 -142.75 105.03 5.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.712 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 56' ' ' ARG . 53.7 Cg_endo -69.8 -32.24 18.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 86.8 m 59.37 43.79 16.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -58.87 119.85 7.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -133.91 74.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -127.8 34.56 4.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 83.3 p -127.03 141.78 51.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.84 -154.93 16.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 132.23 22.87 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -121.53 177.27 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.8 t -153.52 155.47 36.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.493 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -153.58 121.16 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -43.17 -44.81 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.14 71.76 0.53 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -159.32 128.47 5.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -90.89 -51.54 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.02 83.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 29' ' ' LEU . 12.7 mt -40.67 150.79 0.27 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.718 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -24.0 30.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.374 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.528 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -101.7 177.53 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.2 t -46.4 132.42 10.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -71.71 1.5 6.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mm -106.17 -63.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 p -94.6 -32.29 13.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.51 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.6 m120 72.0 35.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 15.6 pt-20 -98.87 -53.14 3.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 1.1 p30 -168.05 105.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -76.52 134.17 39.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.9 p -122.55 -4.41 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -141.32 155.44 45.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -130.78 108.26 9.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.07 124.21 27.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.93 -31.88 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.03 -15.38 81.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 m -105.74 27.21 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 69.48 40.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.92 34.33 89.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -68.85 120.65 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 8' ' ' LEU . 60.9 mt -76.44 118.65 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -119.9 166.71 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.8 p -97.86 -172.46 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.44 -7.11 59.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -104.74 -78.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.4 m -38.93 -35.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' HIS . 76.8 t80 -69.64 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -59.72 -10.25 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -83.2 -49.37 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.61 -38.54 2.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 35' ' ' PHE . 34.6 m80 -78.83 41.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -133.86 3.69 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.59 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -133.38 -44.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.663 ' O ' HD22 ' A' ' 44' ' ' LEU . 5.3 t80 -52.16 -174.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.22 44.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -55.83 -13.95 2.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.6 -20.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 48' ' ' GLN . 14.1 mm-40 -111.84 -34.46 6.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -60.35 83.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 46' ' ' GLU . 93.2 mm-40 -78.32 117.29 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 p -100.61 -178.84 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -163.96 157.2 15.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.2 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.569 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 84.2 t80 -68.42 167.17 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 52' ' ' TYR . 21.3 m170 -166.69 105.07 0.66 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.619 0.723 . . . . 0.0 110.818 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.493 ' HD3' ' CE2' ' A' ' 52' ' ' TYR . 54.1 Cg_endo -69.75 1.09 4.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 45.03 25.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 9.9 ttp180 -70.84 -52.11 10.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.567 0.699 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.8 Cg_endo -69.81 84.98 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.2 p -99.89 35.2 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -67.99 -54.15 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -156.42 116.24 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -67.26 105.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.7 p -174.19 169.93 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.56 168.0 6.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.442 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 144.82 55.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.1 p -44.97 169.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 m -131.52 42.14 3.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.454 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m -71.92 90.05 1.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.909 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -73.31 -30.01 63.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.4 -92.11 1.43 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -107.6 88.91 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.5 p -69.03 166.66 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.4 102.55 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.841 ' O ' HD12 ' A' ' 29' ' ' LEU . 20.1 mt -58.68 152.07 48.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.593 0.711 . . . . 0.0 110.939 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -21.67 33.16 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.506 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -107.15 179.03 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -49.44 132.02 20.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.5 t -70.19 0.75 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mm -106.23 -66.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -92.5 -30.17 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.506 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.7 m120 70.75 33.21 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -94.54 -58.1 2.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -163.38 105.08 0.97 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.564 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -78.54 127.98 32.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 p -119.2 -1.05 10.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -140.84 152.11 44.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -128.77 106.26 8.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.45 ' HA ' HG22 ' A' ' 49' ' ' THR . 38.1 t -75.36 126.33 30.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.22 34.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.72 -20.22 70.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -102.47 30.3 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 63.79 47.87 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.82 38.18 91.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.466 ' CG ' ' CE2' ' A' ' 30' ' ' TYR . 19.7 t0 -71.05 120.82 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.841 HD12 ' O ' ' A' ' 8' ' ' LEU . 37.3 mt -77.28 115.66 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.466 ' CE2' ' CG ' ' A' ' 28' ' ' ASP . 40.5 m-85 -117.19 171.18 8.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -102.72 -172.16 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.96 -4.03 59.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 1.8 tmt_? -107.28 -78.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.6 m -39.96 -37.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 65.3 t80 -65.92 -56.7 10.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.4 mtp85 -65.79 -7.14 14.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -88.95 -40.78 12.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.539 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -113.76 -38.34 1.19 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.5 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 57.0 m80 -83.52 44.25 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.35 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -134.43 -2.59 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -131.53 -29.07 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.719 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.7 t80 -65.56 -175.71 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -75.0 43.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -57.75 -12.6 3.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -50.26 -17.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' GLN . 28.0 mt-10 -116.41 -32.01 5.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -59.71 76.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' GLU . 18.6 mm-40 -71.79 100.46 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 22' ' ' CYS . 1.7 p -78.87 179.01 7.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 m -150.04 147.06 21.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.663 0.744 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 80.26 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -78.56 137.68 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 28.6 t60 -135.04 95.75 14.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 53.2 Cg_endo -69.79 -178.22 2.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.305 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 56' ' ' ARG . 7.7 ptm180 -60.64 135.83 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 55' ' ' ARG . 9.5 ttt180 -31.27 94.61 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.476 ' N ' ' O ' ' A' ' 55' ' ' ARG . 54.2 Cg_endo -69.7 -179.39 2.85 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.396 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.1 t -120.57 101.4 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -130.46 150.03 51.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -123.58 -55.39 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -73.06 116.24 13.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.5 m -130.29 112.3 13.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 60.15 72.1 0.68 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.439 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.2 27.78 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 t 40.53 41.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -124.96 42.02 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.464 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -117.61 158.29 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -160.18 139.71 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.07 40.51 42.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.538 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -87.22 124.35 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -129.08 -47.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.65 125.15 5.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.598 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 63.8 mt -106.48 155.01 39.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.74 37.58 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.731 2.287 . . . . 0.0 112.324 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.598 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -110.38 179.71 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.502 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 49.4 t -50.59 129.6 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.3 t -68.2 -1.83 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.422 HG21 ' SG ' ' A' ' 34' ' ' CYS . 3.9 mm -102.64 -66.2 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 p -91.26 -31.32 16.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.429 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.5 m120 71.1 33.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -98.58 -65.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -152.03 105.2 3.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.502 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -81.65 129.85 34.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 1.6 t -124.08 12.05 8.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' C ' ' A' ' 19' ' ' THR . 12.1 mt -150.2 155.79 40.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -134.11 105.69 6.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 37.3 t -76.57 125.35 29.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.7 -33.58 35.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.61 78.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.536 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m -102.21 25.85 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 70.96 41.77 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 65.31 26.22 71.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -63.66 121.57 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.691 HD13 ' CE1' ' A' ' 52' ' ' TYR . 61.0 mt -78.59 125.39 29.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -124.12 172.71 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.8 p -104.31 -172.63 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.31 -7.66 58.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.544 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -101.91 -79.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 58.4 m -40.77 -41.03 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 57.1 t80 -61.14 -62.22 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -61.57 -8.98 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.69 -39.21 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.19 -44.76 1.06 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.506 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 68.7 m80 -78.88 43.78 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -130.75 4.26 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.636 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -134.8 -46.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.716 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.6 t80 -50.35 -177.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -77.52 43.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.777 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.5 mm? -51.33 -16.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -43.21 -25.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.68 -38.91 6.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -57.0 94.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -90.03 107.78 19.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.0 p -89.35 168.3 12.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -148.13 157.78 42.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 89.91 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.392 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.691 ' CE1' HD13 ' A' ' 29' ' ' LEU . 34.6 t80 -102.21 119.4 38.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -125.42 115.36 25.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -177.39 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.638 2.226 . . . . 0.0 112.361 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.69 28.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.59 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -77.55 -55.29 1.3 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 0.0 110.879 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.6 Cg_endo -69.74 -52.62 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' PRO . 6.0 m 34.4 36.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 57' ' ' PRO . 25.0 tp60 -145.85 139.82 26.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.77 158.56 29.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -99.46 129.01 45.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.4 p -116.2 162.81 16.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.1 -71.08 0.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 103.2 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.246 . . . . 0.0 112.3 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -93.68 159.14 15.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.8 t 48.46 41.8 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.488 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -61.16 158.63 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -92.22 139.69 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.68 99.64 2.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -171.97 131.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -103.89 82.81 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.57 98.03 0.99 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.784 ' O ' HD12 ' A' ' 29' ' ' LEU . 69.7 mt -49.12 153.35 1.64 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.93 35.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.56 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -107.6 174.9 5.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 34.6 t -44.65 126.54 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.16 -3.04 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mm -101.47 -65.12 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 p -94.22 -28.76 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.511 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.1 m120 68.03 36.45 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -101.04 -56.51 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -159.92 104.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.76 119.81 24.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.748 HG23 ' HG ' ' A' ' 20' ' ' LEU . 14.6 t -112.05 8.15 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.748 ' HG ' HG23 ' A' ' 19' ' ' THR . 9.0 mt -150.03 155.22 39.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -130.45 110.49 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.65 123.61 26.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.08 -33.23 39.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.75 -21.62 79.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -97.86 26.28 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 68.69 42.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.22 34.38 87.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -72.19 115.69 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 8' ' ' LEU . 13.6 mt -74.14 122.72 23.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -121.91 169.45 10.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.36 -172.19 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.69 -8.46 58.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.482 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 1.4 tmt_? -101.18 -78.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.482 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 56.9 m -40.93 -38.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.592 ' CZ ' HG21 ' A' ' 49' ' ' THR . 61.2 t80 -65.32 -63.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -59.64 -11.62 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -84.48 -47.93 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.8 -40.62 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' PHE . 39.4 m80 -78.43 41.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -133.92 4.02 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.578 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.34 -43.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.578 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 4.6 t80 -52.37 -172.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -77.38 39.7 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.502 HD22 ' H ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -50.29 -20.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.48 -22.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' LEU . 14.8 mm-40 -108.7 -36.78 6.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -60.41 85.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -80.35 111.27 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.592 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 2.9 p -86.88 171.46 10.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.4 m -148.57 153.84 40.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 91.76 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CD2' HD22 ' A' ' 29' ' ' LEU . 65.4 t80 -100.97 152.57 20.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 11.9 p80 -147.18 108.54 3.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.738 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 54.0 Cg_endo -69.74 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -54.31 -15.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.6 mtp180 63.86 54.94 1.67 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 54.1 Cg_endo -69.82 130.86 19.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.65 45.51 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -118.87 88.12 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -133.41 120.22 20.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -47.37 173.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.4 t -105.09 -52.54 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 64' ' ' PRO . . . -177.71 -148.96 7.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 63' ' ' GLY . 53.5 Cg_endo -69.77 2.83 3.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.8 p -68.9 174.13 4.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.6 t -74.99 123.59 25.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.501 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 t -111.05 119.35 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -96.8 -43.29 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 88.04 40.27 6.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.7 p 35.57 41.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -156.07 157.4 36.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -65.55 108.1 2.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.631 HD22 ' HE1' ' A' ' 10' ' ' TRP . 20.7 mt -36.49 155.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -23.83 30.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.631 ' HE1' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -102.84 177.37 4.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.413 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 42.0 t -47.75 129.31 13.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.8 -1.31 5.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -104.07 -65.97 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -92.57 -29.01 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 3.0 m120 68.48 34.16 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -98.12 -58.08 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -160.0 105.06 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -80.16 121.25 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.724 HG23 ' HG ' ' A' ' 20' ' ' LEU . 11.5 t -113.9 9.72 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.724 ' HG ' HG23 ' A' ' 19' ' ' THR . 7.9 mt -150.92 155.15 38.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -132.97 106.62 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.4 t -75.43 124.76 27.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.58 -33.73 35.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.8 -19.05 79.19 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.526 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -101.25 26.4 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.8 t70 69.66 41.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.76 30.87 78.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.05 116.64 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.601 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 49.4 mt -73.5 131.23 41.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -131.04 169.87 15.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -100.2 -172.21 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.97 -8.2 58.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.38 -78.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.524 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 60.5 m -38.33 -38.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 70.3 t80 -66.47 -61.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -57.07 -18.1 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.08 -51.81 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.26 -39.38 1.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.545 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 33.2 m80 -76.67 41.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.842 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -134.97 0.78 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.557 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.31 -42.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.636 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.7 t80 -51.05 -175.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.469 ' CB ' ' HE3' ' A' ' 45' ' ' LYS . 93.8 m-20 -75.9 42.35 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -53.19 -15.57 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HE3' ' CB ' ' A' ' 43' ' ' ASP . 10.9 pttp -46.35 -21.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -110.18 -30.94 7.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -67.66 89.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.785 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -85.43 111.33 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -93.32 172.17 8.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -150.81 156.27 35.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.693 0.759 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 84.17 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -95.05 111.28 23.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -110.86 111.36 56.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 171.98 13.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 57' ' ' PRO . 31.5 mmt180 -37.45 111.28 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 14.4 ptt180 -28.48 92.64 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.509 ' N ' ' O ' ' A' ' 55' ' ' ARG . 54.2 Cg_endo -69.73 172.91 11.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 m -116.99 96.07 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -99.98 42.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -85.31 68.16 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -47.7 106.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.8 t -101.03 79.95 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -136.2 122.61 2.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.64 4.66 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.25 . . . . 0.0 112.347 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.0 m -117.57 170.96 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -96.46 161.58 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 p -91.43 -50.9 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 p -54.43 118.78 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.12 46.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -40.98 121.17 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -104.2 142.57 34.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.68 81.9 1.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 21.1 mt -71.11 151.57 94.76 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.45 36.02 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.544 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -105.04 177.73 4.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.7 t -48.27 128.66 14.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -66.91 -2.43 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.478 HG21 ' SG ' ' A' ' 34' ' ' CYS . 3.6 mm -102.25 -66.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.0 p -92.74 -28.95 16.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.535 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 4.4 m120 68.64 36.07 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -98.94 -57.24 2.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -161.25 105.41 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.42 123.22 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.697 HG23 ' HG ' ' A' ' 20' ' ' LEU . 8.6 t -117.07 7.93 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.697 ' HG ' HG23 ' A' ' 19' ' ' THR . 5.7 mt -149.14 151.58 34.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -128.4 107.33 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.52 ' HA ' HG22 ' A' ' 49' ' ' THR . 48.0 t -76.51 125.01 28.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.86 -38.87 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.72 -19.02 70.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.447 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 m -103.18 27.8 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t0 68.58 46.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 58.01 30.57 63.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -64.88 126.2 27.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.53 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 59.2 mt -80.41 118.77 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -118.52 177.29 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.9 p -111.06 -174.11 2.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.58 -9.19 59.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.652 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -100.95 -81.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.478 ' SG ' HG21 ' A' ' 13' ' ' ILE . 57.0 m -39.12 -36.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' HIS . 71.4 t80 -68.81 -61.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 33' ' ' ARG . 8.8 ptm180 -59.03 -14.35 9.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' CG ' ' HD2' ' A' ' 33' ' ' ARG . 18.6 mm-40 -78.33 -51.15 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.73 -38.85 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' PHE . 35.4 m80 -79.35 40.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 110.827 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -134.01 3.61 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.663 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -132.64 -47.6 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.735 ' O ' HD22 ' A' ' 44' ' ' LEU . 6.6 t80 -50.48 -178.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -75.6 47.45 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -56.47 -13.62 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -19.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -112.96 -19.76 11.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -75.88 48.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -48.7 106.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 22' ' ' CYS . 1.1 p -85.43 173.84 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 t -140.98 148.71 53.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 80.46 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 0.0 112.305 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -84.67 134.29 34.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 7.8 m-70 -134.28 101.55 12.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.554 0.692 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 54.0 Cg_endo -69.76 2.43 3.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.362 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 57.4 25.13 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 17.1 ttt85 -82.39 -62.12 0.32 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 56' ' ' ARG . 53.8 Cg_endo -69.81 136.15 32.15 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.9 m -56.25 157.26 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.36 146.22 44.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.978 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -107.23 136.66 46.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -60.52 -60.98 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -142.01 134.76 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -120.74 118.51 3.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 165.34 31.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.7 p -76.0 84.51 2.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.4 p -147.87 175.65 10.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.482 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -81.07 44.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -41.63 -44.62 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.09 130.81 2.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 t -145.9 149.73 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -152.29 173.1 15.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.1 116.12 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.602 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 32.3 mt -94.04 152.72 40.65 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.577 0.703 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -9.03 25.1 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.602 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -116.36 169.65 9.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.49 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.2 t -46.54 127.77 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.8 t -67.68 -1.74 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.429 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.9 mm -101.02 -65.7 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 p -92.49 -29.63 16.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 11' ' ' CYS . 4.1 m120 71.49 35.27 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -100.04 -54.17 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -168.5 109.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -88.23 124.18 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.604 HG23 ' HG ' ' A' ' 20' ' ' LEU . 6.0 t -115.67 11.03 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.604 ' HG ' HG23 ' A' ' 19' ' ' THR . 6.9 mt -146.22 149.45 33.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -126.29 107.31 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.8 t -78.2 123.99 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.68 -36.95 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.25 -20.7 73.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 3.6 m -100.51 31.64 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 12.9 m-20 64.47 38.78 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.77 30.72 72.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -70.48 121.48 17.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.664 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 84.4 mt -77.38 132.97 38.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -129.25 176.55 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -107.71 -171.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.6 -7.63 58.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.53 -78.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.516 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 60.6 m -40.7 -37.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 39' ' ' HIS . 67.4 t80 -66.92 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -59.2 -11.28 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.54 -49.83 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.5 -39.15 2.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' PHE . 35.5 m80 -78.47 40.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -133.48 3.71 3.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.589 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -133.0 -44.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.622 ' O ' HD22 ' A' ' 44' ' ' LEU . 4.8 t80 -52.08 -174.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.29 42.96 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.622 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -53.84 -18.31 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -43.41 -22.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLN . 17.2 mm-40 -109.23 -36.92 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -57.48 83.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' GLU . 38.3 mm-40 -78.72 109.45 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 p -90.16 -179.54 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.5 p -163.26 153.51 13.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 85.24 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.664 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 84.7 t80 -84.47 33.03 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.509 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 5.7 p80 -31.96 95.21 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.591 0.71 . . . . 0.0 110.841 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' TYR . 53.8 Cg_endo -69.8 139.18 39.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -83.94 27.41 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 2.0 mmt-85 -81.94 -67.06 0.22 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.724 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 56' ' ' ARG . 53.7 Cg_endo -69.75 85.02 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.334 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 64.4 m -108.56 -49.12 3.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -91.06 57.51 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.38 87.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -51.33 114.96 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 t 64.25 45.58 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.782 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -138.02 62.88 0.57 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -179.35 2.89 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.1 t -68.95 -49.61 56.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 t -43.77 148.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.818 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.497 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -145.79 123.29 11.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -93.99 -46.07 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.45 97.97 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 t -75.57 -65.88 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.824 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -153.95 168.5 26.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.49 130.75 10.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.914 ' O ' HD12 ' A' ' 29' ' ' LEU . 13.7 mt -80.21 152.82 74.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.897 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -18.6 36.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.336 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.54 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -111.27 177.55 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.413 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.8 t -47.55 127.09 10.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.5 t -66.23 -3.14 5.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mm -101.89 -62.65 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 p -95.77 -28.22 14.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.54 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 2.7 m120 66.32 37.36 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 10.4 pt-20 -103.88 -51.44 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 2.1 p-10 -164.12 107.15 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -85.67 121.29 28.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.704 HG23 ' HG ' ' A' ' 20' ' ' LEU . 10.1 t -113.8 9.25 17.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.704 ' HG ' HG23 ' A' ' 19' ' ' THR . 6.8 mt -150.35 148.57 28.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 49' ' ' THR . 6.4 ttp180 -125.14 110.48 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.23 126.28 30.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.92 -32.74 30.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.79 -18.62 79.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.7 m -101.6 25.56 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t0 70.05 43.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.76 35.03 91.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -72.28 123.75 23.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 8' ' ' LEU . 17.5 mt -80.92 119.15 23.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -116.97 177.65 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' O ' HD12 ' A' ' 20' ' ' LEU . 17.8 p -109.0 -172.79 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.81 -6.58 59.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 1.7 tmt_? -104.22 -78.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 59.0 m -39.74 -40.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.616 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 61.9 t80 -64.31 -57.75 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -63.78 -11.99 31.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -86.43 -40.31 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.83 -43.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.616 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 50.4 m80 -77.38 45.98 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -133.15 2.94 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.574 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -134.77 -43.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.651 ' O ' HD22 ' A' ' 44' ' ' LEU . 2.3 t80 -51.08 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.489 ' OD1' ' CG ' ' A' ' 45' ' ' LYS . 21.5 t70 -76.98 39.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.733 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.6 mm? -45.09 -21.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' CG ' ' OD1' ' A' ' 43' ' ' ASP . 10.3 ptpt -50.07 -31.67 13.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -95.99 -24.12 16.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -77.48 98.22 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -86.42 106.13 17.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' ARG . 1.3 p -97.64 159.68 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.4 m -144.53 158.75 53.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 91.81 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CD2' HD22 ' A' ' 29' ' ' LEU . 70.8 t80 -83.28 138.67 33.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 5.5 p-80 -132.78 92.47 26.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 110.818 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 53.5 Cg_endo -69.79 -176.52 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' O ' ' C ' ' A' ' 56' ' ' ARG . 30.8 mtp180 -54.12 120.13 6.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 55' ' ' ARG . 62.2 mtp180 -30.49 94.4 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.644 0.735 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.8 -174.13 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.713 2.276 . . . . 0.0 112.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 25.4 t -127.09 36.22 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -124.05 166.79 15.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 69.29 48.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -143.44 147.27 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 t 42.82 41.95 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.21 69.37 0.29 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -47.38 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.0 p -135.35 163.46 29.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -164.27 154.25 14.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.46 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -66.84 162.91 20.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -99.29 95.46 7.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.62 103.42 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -110.67 116.11 30.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -39.24 -52.19 1.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.69 131.48 3.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.852 ' O ' HD12 ' A' ' 29' ' ' LEU . 74.0 mt -46.32 155.54 0.55 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.51 29.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.507 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -104.27 176.55 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 33.7 t -47.11 128.34 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -68.39 -0.91 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mm -103.75 -64.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 p -93.86 -30.79 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 m120 71.06 33.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -97.37 -63.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -157.0 105.2 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -80.53 139.77 36.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.1 p -131.08 1.43 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mt -142.55 149.08 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -125.64 106.09 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.5 t -76.56 126.34 30.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.71 -36.79 36.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.39 -19.91 74.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.3 m -102.75 31.21 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 62.82 49.66 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.51 37.74 68.09 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -72.12 118.71 15.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.852 HD12 ' O ' ' A' ' 8' ' ' LEU . 69.3 mt -73.79 116.03 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -117.2 168.98 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.05 -173.06 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.87 -5.63 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -103.17 -79.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.841 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 59.1 m -40.87 -39.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 70.9 t80 -66.53 -61.83 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 3.6 ptm85 -57.62 -12.45 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -82.25 -51.53 7.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.78 -38.85 2.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 38.0 m80 -78.28 40.95 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -134.57 2.59 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.532 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -131.17 -42.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.718 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.1 t80 -52.56 -172.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 45' ' ' LYS . 3.3 m-20 -79.0 37.31 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -43.81 -22.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 43' ' ' ASP . 24.2 pttt -43.02 -27.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -102.24 -35.77 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -62.16 82.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -75.03 102.07 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.14 178.94 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.86 145.36 17.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 0.0 110.824 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 79.55 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -77.09 142.33 39.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 18.8 m80 -134.97 95.13 15.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 53.9 Cg_endo -69.74 127.65 14.92 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -83.12 22.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.55 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -91.08 -65.56 0.15 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 56' ' ' ARG . 53.9 Cg_endo -69.79 100.45 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 97.1 m -78.39 90.03 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -120.14 110.28 16.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.76 84.36 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 14.0 p-80 -136.91 122.14 19.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 t -61.75 -62.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.6 147.71 4.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 146.23 59.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.6 p -86.37 166.85 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.6 p -80.81 134.1 35.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.484 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 m -55.64 105.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.82 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -144.47 166.19 25.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.6 120.82 7.0 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 6' ' ' SER . 49.6 m -128.37 -50.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.5 m -37.06 150.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.09 98.72 1.01 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 19.9 mt -95.85 152.7 39.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.604 0.716 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -19.51 35.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.615 2.21 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.505 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -105.55 179.01 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 37.4 t -51.99 128.45 24.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.55 -1.97 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.431 HG21 ' SG ' ' A' ' 34' ' ' CYS . 6.6 mm -102.43 -66.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.9 p -90.74 -31.89 16.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 m120 73.81 33.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -97.62 -65.22 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -155.49 105.53 2.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -79.77 128.14 33.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.746 HG23 ' HG ' ' A' ' 20' ' ' LEU . 8.9 t -121.65 8.07 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.746 ' HG ' HG23 ' A' ' 19' ' ' THR . 5.3 mt -150.19 150.44 31.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 49' ' ' THR . 17.2 ttt85 -125.34 108.59 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.5 t -80.98 125.85 30.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.96 -36.24 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.46 -18.65 73.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.76 28.66 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 68.47 44.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.06 31.9 74.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -71.27 125.68 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.607 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 63.2 mt -79.43 120.41 23.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -117.7 166.14 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 p -99.74 -172.07 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.25 -6.97 59.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 4.6 tmt_? -103.61 -78.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.528 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.7 m -41.33 -28.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.502 ' CD1' ' HB2' ' A' ' 39' ' ' HIS . 59.3 t80 -82.23 -58.33 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -66.02 -7.23 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -97.71 -40.95 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.548 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -107.57 -38.98 1.98 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.502 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 51.9 m80 -84.33 44.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -134.65 -0.49 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -133.07 -27.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.791 ' O ' HD22 ' A' ' 44' ' ' LEU . 6.9 t80 -67.64 -175.16 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -74.72 45.49 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -59.73 -11.08 4.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -19.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 48' ' ' GLN . 38.5 mt-10 -114.24 -33.97 5.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -57.48 86.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 46' ' ' GLU . 71.5 mm-40 -81.98 112.02 18.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.412 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 7.7 p -95.7 179.89 4.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -161.2 156.86 21.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 80.24 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -65.0 152.95 42.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -131.59 94.64 25.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.15 17.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -87.76 15.23 7.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.504 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -72.8 -59.8 2.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.875 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.9 Cg_endo -69.75 100.77 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.3 t -95.01 45.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -172.03 133.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -135.48 137.82 42.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -113.35 111.13 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.0 p -49.98 130.45 21.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.58 175.72 54.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 151.71 69.4 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.631 2.221 . . . . 0.0 112.378 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.9 m -114.39 -59.28 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.0 p -74.37 138.81 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.456 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 p -69.18 -52.48 27.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m -49.08 159.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.28 -96.33 0.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -62.49 117.56 6.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -92.34 74.02 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.48 100.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.58 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 96.4 mt -43.93 153.94 0.39 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -20.93 33.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.355 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.58 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -105.3 176.07 5.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.1 t -46.2 126.79 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -66.33 -2.83 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -101.64 -64.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.41 -28.46 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.536 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 5.3 m120 68.05 35.1 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.56 -57.2 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.45 105.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -80.56 127.0 31.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 p -116.91 -4.52 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -136.98 153.35 50.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -129.68 103.31 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.609 ' HA ' HG22 ' A' ' 49' ' ' THR . 38.7 t -72.73 125.57 27.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.65 -38.99 38.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.63 -19.96 69.61 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.7 m -102.23 25.84 8.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.7 t0 69.87 43.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 62.21 29.62 73.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -63.68 119.8 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD13 ' CE2' ' A' ' 52' ' ' TYR . 32.8 mt -75.48 116.95 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -117.13 173.93 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -104.83 -172.84 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.12 -6.01 59.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.545 ' CD ' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -104.39 -78.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.545 ' N ' ' CD ' ' A' ' 33' ' ' ARG . 57.5 m -40.57 -39.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' HIS . 64.4 t80 -63.87 -57.11 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 14.5 mtp-105 -65.63 -5.89 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.18 -42.87 10.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.525 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -111.17 -37.2 1.69 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.512 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.481 ' HA ' HD11 ' A' ' 44' ' ' LEU . 59.7 m80 -84.68 43.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -135.03 0.18 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -133.96 -29.56 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.842 ' O ' HD22 ' A' ' 44' ' ' LEU . 4.6 t80 -64.76 -174.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.94 41.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.842 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -50.97 -20.81 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -40.56 -27.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 44' ' ' LEU . 27.9 mm-40 -103.2 -33.89 9.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -63.93 93.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -92.92 103.94 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.609 HG22 ' HA ' ' A' ' 22' ' ' CYS . 10.0 p -84.92 171.49 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 m -144.44 158.09 54.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 82.9 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.621 ' CE2' HD13 ' A' ' 29' ' ' LEU . 59.1 t80 -82.83 143.87 30.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -134.87 94.55 16.35 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 110.841 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 2.87 3.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 61.38 25.62 15.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.54 ' CB ' ' CD ' ' A' ' 57' ' ' PRO . 4.9 tpt180 -90.44 -65.36 0.16 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.567 0.699 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 56' ' ' ARG . 53.7 Cg_endo -69.76 -163.67 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 76.3 m 52.17 44.19 29.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -82.39 169.17 16.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -117.83 126.8 53.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -161.94 166.62 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.1 m -127.58 139.15 52.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 156.35 81.38 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 171.24 14.8 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.301 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.8 p -160.43 117.77 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.1 m -148.3 144.1 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.481 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 3' ' ' SER . 71.2 m -91.37 40.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.872 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 2' ' ' SER . 6.0 t 36.71 41.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.15 57.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -61.11 -44.8 96.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p 47.77 47.92 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.63 160.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.791 ' O ' HD12 ' A' ' 29' ' ' LEU . 20.9 mt -151.39 158.34 34.46 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.572 0.701 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -27.0 26.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.406 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -103.64 178.59 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 t -52.92 124.03 13.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.4 t -63.58 -6.33 5.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.495 HG21 ' SG ' ' A' ' 34' ' ' CYS . 4.8 mm -96.1 -66.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 p -92.47 -32.63 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 74.45 32.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -95.33 -61.81 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -162.45 105.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -79.34 131.18 36.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.411 HG23 ' HG ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -123.29 2.83 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.535 HD13 ' CD2' ' A' ' 35' ' ' PHE . 4.2 mt -142.0 149.41 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -124.72 104.44 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.88 125.06 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.9 -36.74 41.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.93 -16.11 72.26 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.4 m -105.47 30.17 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.9 t0 66.0 38.78 4.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.47 27.34 73.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -63.89 126.66 28.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 8' ' ' LEU . 50.2 mt -80.62 125.51 30.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -124.37 169.04 12.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.6 p -102.66 -172.32 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.69 -6.82 59.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 3.0 tmt_? -103.77 -78.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 38.3 m -42.93 -27.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.694 ' CZ ' HG21 ' A' ' 49' ' ' THR . 49.5 t80 -79.63 -60.61 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -65.1 -15.05 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.515 ' CD ' ' C ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -89.13 -44.4 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' CA ' ' OE2' ' A' ' 37' ' ' GLU . . . -98.68 -45.54 2.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 35' ' ' PHE . 68.0 m80 -82.46 42.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.819 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -131.11 6.91 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.668 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -135.01 -48.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.668 ' H ' ' ND2' ' A' ' 41' ' ' ASN . 5.7 t80 -51.32 -174.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.64 43.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.472 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -52.11 -16.3 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -44.47 -23.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -106.38 -36.42 6.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -58.58 88.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -82.92 115.99 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.694 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -96.91 174.96 6.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 p -152.34 152.17 28.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 85.17 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -87.62 136.62 32.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 5.9 p80 -134.25 97.79 14.55 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.68 18.34 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.496 ' O ' ' C ' ' A' ' 56' ' ' ARG . 2.8 ptp180 -47.56 125.14 7.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' ARG . 55.1 mtm180 -30.6 94.36 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.78 -48.03 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.645 2.23 . . . . 0.0 112.37 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.8 t -144.54 156.14 44.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -94.45 -45.61 7.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -53.04 133.3 38.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -86.24 148.59 25.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -140.23 121.4 14.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.03 157.84 34.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.8 p -45.15 168.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 t -91.81 151.64 20.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.522 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -131.56 150.95 51.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 m -98.47 -47.59 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.69 39.0 11.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -149.39 123.68 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.877 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -129.74 138.13 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.74 72.94 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.64 ' O ' HD12 ' A' ' 29' ' ' LEU . 24.2 mt -62.41 152.21 80.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.725 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -26.02 27.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.457 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -97.17 177.7 5.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 36.4 t -49.44 127.88 16.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.35 -2.13 5.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -102.08 -65.66 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.4 p -93.23 -30.06 15.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 m120 71.27 34.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.83 -63.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -156.39 104.99 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -82.06 128.79 34.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.41 ' C ' ' HG ' ' A' ' 20' ' ' LEU . 1.1 t -122.63 8.23 9.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HG ' ' C ' ' A' ' 19' ' ' THR . 7.0 mt -148.18 151.07 34.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -128.58 105.75 8.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.586 ' HA ' HG22 ' A' ' 49' ' ' THR . 43.7 t -75.59 126.74 31.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.13 -37.56 33.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.21 -20.17 72.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m -101.47 27.32 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 67.61 45.17 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.3 34.19 87.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 11.1 m-20 -68.93 121.46 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 8' ' ' LEU . 33.7 mt -77.66 116.56 18.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 28' ' ' ASP . 48.8 m-85 -117.44 167.38 11.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.3 p -98.21 -172.54 2.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.91 -7.03 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.24 -79.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.512 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 61.0 m -38.16 -29.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 82.1 t80 -80.94 -55.41 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -63.39 -16.75 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 38' ' ' GLY . 2.9 pt-20 -89.43 -42.57 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -98.84 -48.37 1.78 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.613 ' HA ' HD11 ' A' ' 44' ' ' LEU . 73.6 m80 -79.05 44.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.32 . . . . 0.0 110.843 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -130.81 0.38 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -134.93 -40.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.836 ' O ' HD22 ' A' ' 44' ' ' LEU . 1.6 t80 -51.91 -173.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.501 ' CB ' ' HE2' ' A' ' 45' ' ' LYS . 1.4 m-20 -79.02 38.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -44.21 -26.76 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' HE2' ' CB ' ' A' ' 43' ' ' ASP . 18.3 pttt -39.29 -25.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 44' ' ' LEU . 82.3 mt-10 -105.01 -35.79 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -64.78 91.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -88.32 100.4 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 22' ' ' CYS . 4.0 p -80.66 175.33 10.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 t -147.71 150.95 37.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.699 0.762 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 80.08 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 53' ' ' HIS . 75.4 t80 -79.2 166.62 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.501 ' N ' ' CG ' ' A' ' 52' ' ' TYR . 8.5 p80 -165.37 105.45 0.76 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.602 0.715 . . . . 0.0 110.848 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 54.2 Cg_endo -69.78 -169.42 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -54.95 -64.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 13.4 ttp-105 -134.29 85.86 37.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.584 0.706 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -1.58 8.7 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.0 t 49.12 39.4 15.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -81.25 80.88 7.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' OE2' ' CD2' ' A' ' 61' ' ' HIS . 3.0 pp20? -82.15 -41.94 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.449 ' CD2' ' OE2' ' A' ' 60' ' ' GLU . 80.7 m-70 -50.44 108.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 t -84.32 -46.45 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 138.29 73.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 164.33 34.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.3 t -121.38 -56.33 1.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.819 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.5 m -84.3 169.78 14.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.486 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 m -106.54 171.81 7.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 p -88.7 42.48 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 147.94 -53.37 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.431 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m -52.8 91.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 4' ' ' GLY . 14.8 m -94.47 34.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.55 119.9 4.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.942 ' O ' HD12 ' A' ' 29' ' ' LEU . 92.1 mt -70.11 153.65 95.17 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.63 0.729 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -16.25 37.51 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.524 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -113.76 177.11 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' ASN . 35.8 t -48.6 125.71 10.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.76 -4.96 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -98.96 -64.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.421 ' SG ' ' HG3' ' A' ' 16' ' ' GLU . 3.2 p -94.55 -30.07 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.479 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 8.8 m120 69.18 37.89 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 17' ' ' ASP . 3.1 pp20? -101.85 -52.86 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 22.7 t0 -165.93 105.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -81.51 125.69 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.674 HG23 ' HG ' ' A' ' 20' ' ' LEU . 8.7 t -118.97 10.02 12.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.674 ' HG ' HG23 ' A' ' 19' ' ' THR . 7.1 mt -150.13 151.71 33.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -129.98 105.73 8.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.47 125.31 28.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.78 -35.75 43.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.34 -19.03 75.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.2 m -103.88 31.38 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 63.12 47.26 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.55 38.85 92.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -73.08 120.43 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 0.0 110.827 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.942 HD12 ' O ' ' A' ' 8' ' ' LEU . 36.9 mt -75.2 123.89 26.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.18 172.06 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' O ' HD12 ' A' ' 20' ' ' LEU . 13.1 p -102.04 -172.83 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 36' ' ' ARG . . . -85.25 -6.37 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -105.59 -78.18 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 63.6 m -38.28 -38.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 39' ' ' HIS . 72.1 t80 -65.95 -57.54 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 33.7 mmm-85 -61.52 -15.35 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.14 -49.32 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.551 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -103.83 -40.91 2.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 35' ' ' PHE . 57.6 m80 -82.24 42.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -134.64 -2.1 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -134.44 -23.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.645 ' O ' HD22 ' A' ' 44' ' ' LEU . 5.4 t80 -69.09 -174.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.46 40.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.686 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.2 mm? -54.08 -14.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -47.11 -20.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -113.42 -28.49 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -67.19 87.74 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -85.45 102.72 13.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.1 p -80.23 171.38 15.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.3 p -145.13 152.66 51.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 80.36 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -75.49 155.24 36.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 54' ' ' PRO . 20.0 p-80 -138.98 105.88 7.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.544 0.687 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 53' ' ' HIS . 53.0 Cg_endo -69.84 -165.57 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 57' ' ' PRO . 59.7 mtm180 -78.01 -49.88 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -113.3 65.72 1.07 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.59 0.71 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD3' ' C ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.75 -21.16 33.92 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.4 p -71.44 -40.28 70.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' CYS . 28.7 tt0 -36.82 97.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 58' ' ' CYS . 39.9 mt-10 -74.25 141.28 45.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -123.09 42.08 3.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.1 m -42.34 -57.0 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -43.09 125.61 4.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -14.71 36.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.337 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 m -110.87 167.74 10.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.3 p -102.4 174.41 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.466 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -122.17 141.43 51.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m 54.47 44.8 28.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.97 -144.48 21.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -93.9 103.23 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 m -91.69 152.72 20.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.6 ' O ' HD23 ' A' ' 8' ' ' LEU . . . 106.75 102.3 2.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.905 ' O ' HD12 ' A' ' 29' ' ' LEU . 70.4 mt -146.3 153.34 48.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.626 0.727 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -14.31 35.98 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.517 ' CD1' ' HB3' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -115.44 175.35 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.5 t -45.79 125.23 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.73 -2.99 4.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mm -100.56 -64.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.0 p -95.65 -29.51 14.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.417 ' HB3' ' CD1' ' A' ' 10' ' ' TRP . 3.1 m120 70.44 33.54 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -94.94 -62.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.72 105.13 2.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 29' ' ' LEU . . . -77.82 129.83 35.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -122.31 0.45 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt -142.72 151.11 40.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 58.0 ttt-85 -128.38 101.52 6.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -70.22 128.52 36.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.17 -36.54 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.44 -18.29 75.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.9 m -102.97 27.37 7.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 65.26 44.11 3.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.489 ' HA3' ' CZ ' ' A' ' 21' ' ' ARG . . . 66.23 27.67 73.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.609 ' CG ' ' CE2' ' A' ' 30' ' ' TYR . 14.8 t0 -61.8 114.66 3.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.905 HD12 ' O ' ' A' ' 8' ' ' LEU . 41.8 mt -73.36 122.18 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.609 ' CE2' ' CG ' ' A' ' 28' ' ' ASP . 44.8 m-85 -123.05 170.91 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 p -102.36 -172.27 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.05 -7.46 58.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.502 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -102.93 -78.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.502 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 58.1 m -40.67 -41.43 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.523 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 77.6 t80 -61.08 -61.21 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 11.4 mtp-105 -60.81 -9.66 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.45 -41.08 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.31 -43.47 1.07 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.523 ' CB ' ' CE1' ' A' ' 35' ' ' PHE . 55.9 m80 -78.64 43.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -133.58 1.52 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.526 ' ND2' ' H ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -132.23 -43.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.791 ' O ' HD22 ' A' ' 44' ' ' LEU . 3.3 t80 -51.64 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -77.68 41.07 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -47.22 -23.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.72 -27.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 47' ' ' HIS . 8.6 pt-20 -103.1 -33.02 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.484 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 18.7 m-70 -64.59 100.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -95.21 107.11 19.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.8 p -87.1 173.24 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.7 m -150.23 152.84 34.21 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.703 0.763 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 81.31 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -92.25 143.04 26.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -146.39 114.17 4.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 165.16 31.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.362 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -103.55 14.42 31.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -81.83 -60.79 0.39 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 54.1 Cg_endo -69.74 129.08 16.99 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.622 2.215 . . . . 0.0 112.387 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 53.2 t -148.1 123.23 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -171.43 141.7 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -96.17 116.21 28.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 62' ' ' SER . 2.5 t-80 -73.11 155.19 39.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 30.1 m -150.34 120.64 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.413 ' HA2' ' HD2' ' A' ' 64' ' ' PRO . . . -165.76 95.27 0.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.413 ' HD2' ' HA2' ' A' ' 63' ' ' GLY . 53.2 Cg_endo -69.79 104.53 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.4 p -102.96 -39.4 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.0 m 58.0 44.82 18.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.516 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -94.91 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.8 p -147.05 119.22 8.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -39.54 -78.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.53 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.0 m -33.92 133.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.813 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -83.25 -54.54 4.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.36 143.46 9.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.991 ' O ' HD12 ' A' ' 29' ' ' LEU . 38.6 mt -111.04 155.92 41.73 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.708 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -19.81 35.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.752 ' HE1' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -111.12 176.87 4.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 36.4 t -48.9 128.41 15.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.69 -1.96 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.412 HG21 ' SG ' ' A' ' 34' ' ' CYS . 5.7 mm -102.05 -64.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 p -93.48 -30.56 14.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 m120 70.39 33.1 2.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -96.6 -63.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -155.76 105.24 2.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.455 ' HB2' ' N ' ' A' ' 11' ' ' CYS . . . -80.79 132.35 35.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.4 p -122.28 -1.88 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 31' ' ' CYS . 2.9 mt -140.29 154.48 46.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -131.09 105.26 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.59 ' HA ' HG22 ' A' ' 49' ' ' THR . 48.7 t -71.17 124.39 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.09 -36.91 40.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.98 -18.75 74.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 m -102.38 26.84 7.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t0 69.4 41.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 22' ' ' CYS . . . 65.41 31.02 78.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.536 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.06 121.02 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.991 HD12 ' O ' ' A' ' 8' ' ' LEU . 66.5 mt -77.01 117.28 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -118.57 173.02 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' O ' HD12 ' A' ' 20' ' ' LEU . 19.3 p -105.19 -172.05 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.37 -10.91 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HD3' ' N ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -100.01 -77.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.512 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 59.2 m -40.68 -40.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 39' ' ' HIS . 62.8 t80 -63.95 -57.08 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -66.14 -4.36 7.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -96.11 -38.92 9.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.531 ' O ' ' ND2' ' A' ' 41' ' ' ASN . . . -109.92 -39.4 1.57 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.505 ' HD2' HD12 ' A' ' 44' ' ' LEU . 65.1 m80 -85.93 45.2 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.778 0.323 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -134.98 1.28 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -133.94 -29.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.68 ' O ' HD22 ' A' ' 44' ' ' LEU . 2.8 t80 -66.7 -175.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.416 ' CG ' ' HE2' ' A' ' 45' ' ' LYS . 8.2 m-20 -76.84 42.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.735 HD22 ' H ' ' A' ' 44' ' ' LEU . 1.3 mm? -52.68 -16.32 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HE2' ' CG ' ' A' ' 43' ' ' ASP . 24.2 pttt -44.03 -22.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 44' ' ' LEU . 25.3 mt-10 -110.15 -31.31 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -65.91 89.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -88.34 114.14 24.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 22' ' ' CYS . 21.7 p -94.38 171.95 8.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 p -144.35 156.17 57.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 79.9 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -81.98 161.4 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.481 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -164.63 112.31 0.88 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 56' ' ' ARG . 53.6 Cg_endo -69.76 -0.03 6.32 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.393 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HG2' ' C ' ' A' ' 54' ' ' PRO . 26.0 ptt180 39.01 25.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.568 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 25.8 tpt85 -77.51 -56.31 1.18 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 56' ' ' ARG . 53.2 Cg_endo -69.82 111.66 2.88 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.2 t -65.14 121.32 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.418 ' H ' ' CD ' ' A' ' 59' ' ' GLN . 3.1 pm0 -53.64 94.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.61 138.56 35.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -42.24 141.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m -97.81 81.33 2.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.97 130.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' SER . 54.4 Cg_endo -69.76 -176.37 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' PRO . 1.5 t -36.04 -44.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.3 p -126.62 140.1 52.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.517 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_