data_1x4u_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 1x4u _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.7 t -61.97 150.99 36.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 18' ' ' THR . 49.6 m -97.46 20.66 11.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.61 -51.87 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.63 2.63 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 m 49.46 44.74 24.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.23 102.86 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 -179.91 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -80.31 174.57 11.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -134.99 124.62 25.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.8 t -60.96 164.01 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -104.07 -30.83 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -85.69 -74.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.425 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.8 -36.5 82.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.59 37.56 19.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 7.8 m-20 -108.71 172.37 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -85.92 142.73 28.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 92.3 m-85 -153.83 163.59 39.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.3 p -79.86 -175.21 4.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 t -84.72 11.1 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -118.21 -26.6 6.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.1 m -91.23 -36.22 14.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.4 t -91.8 36.22 0.96 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -111.5 39.66 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -119.89 123.51 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -92.71 127.51 38.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.42 ' CG2' HG11 ' A' ' 68' ' ' VAL . 33.9 m -146.28 148.45 34.72 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.581 0.705 . . . . 0.0 111.159 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.66 54.82 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HE2' ' CG1' ' A' ' 66' ' ' VAL . 17.2 ptpt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.421 ' CG1' ' HE2' ' A' ' 51' ' ' LYS . 35.3 m -109.73 162.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -98.77 132.75 43.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 49' ' ' VAL . 35.9 m -135.13 168.65 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 17.2 p -87.67 141.51 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -36.08 -57.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.084 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -39.86 -42.12 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' THR . 77.3 m -82.4 -58.81 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' CYS . 4.0 t30 -37.67 -38.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -70.29 -44.83 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' CYS . 53.9 m -65.78 -41.5 91.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.441 ' ND2' ' HG1' ' A' ' 23' ' ' THR . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.7 t -48.14 149.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.505 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 10.9 m -95.46 21.85 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.9 -57.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 p -104.41 -2.66 25.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.0 m 58.56 40.41 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.54 103.68 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 16' ' ' ASN . 6.6 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.794 0.33 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -84.82 152.55 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.4 m -113.16 123.55 50.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.9 t -52.73 165.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -100.38 -33.46 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -84.84 -74.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.483 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.9 p -66.95 -32.51 73.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.15 37.44 42.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.501 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 21.3 m-20 -105.51 175.17 5.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.82 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 57.6 p -81.34 143.52 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 86.5 m-85 -159.67 163.7 34.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -79.97 -175.28 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 m -84.11 0.91 46.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.93 -20.75 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.4 m -95.91 -37.83 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.7 t -92.84 44.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -127.1 33.36 4.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -106.38 107.93 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -74.82 118.88 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.0 m -138.18 146.38 51.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.732 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.49 14.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.2 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.361 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.7 m -126.46 169.39 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -107.92 126.56 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.69 179.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.595 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.9 p -97.71 142.31 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.94 -47.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -49.64 -48.69 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 75' ' ' THR . 72.2 m -75.59 -59.42 2.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 t30 -36.11 -38.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.97 -44.38 76.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' CYS . 94.9 m -68.22 -46.78 69.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.8 t -55.54 158.56 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.445 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 2.4 m -97.81 5.64 48.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.51 -56.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.9 p -103.87 8.47 36.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.4 p 38.87 42.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.6 100.17 11.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.918 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -89.02 153.53 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -118.32 122.05 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.5 t -57.66 164.28 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -102.67 -31.47 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -85.64 -74.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.6 p -67.05 -35.24 79.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.12 37.3 29.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.494 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 12.4 m-20 -106.32 174.28 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 p -85.77 136.77 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 86.7 m-85 -149.1 163.18 38.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -82.61 -175.78 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.5 m -85.53 12.91 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -120.68 -27.14 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.8 m -92.72 -31.01 15.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.3 t -100.19 36.54 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 p -108.14 32.58 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -119.28 124.43 46.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 24.6 mtmt -96.21 131.03 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' CG2' HG12 ' A' ' 68' ' ' VAL . 31.8 m -138.04 150.26 66.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.22 8.9 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HD2' ' CG1' ' A' ' 66' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.3 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.817 0.341 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 20.8 m -148.74 156.1 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.422 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 86.7 m-85 -93.77 130.18 39.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.452 HG12 ' CG2' ' A' ' 49' ' ' VAL . 23.4 m -132.05 173.16 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.604 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 21.1 p -91.21 145.36 24.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.65 -53.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -44.97 -39.55 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 75' ' ' THR . 93.3 m -84.21 -62.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' CYS . 5.4 t30 -37.48 -39.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -67.83 -42.67 81.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 72' ' ' CYS . 73.2 m -70.54 -44.34 67.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.401 ' CD1' HG21 ' A' ' 49' ' ' VAL . 43.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.3 t -39.78 158.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.57 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 26.8 m -92.41 -1.72 56.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.01 -61.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 22' ' ' ALA . 26.8 p -102.59 19.37 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.344 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' CYS . 83.8 p 36.38 30.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . -65.92 100.18 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -87.4 -176.1 5.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.4 m -136.41 119.75 16.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.8 t -55.97 164.44 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -101.89 -31.82 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -85.9 -75.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.465 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.17 -35.9 81.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.88 37.72 25.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.465 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 26.1 m-20 -106.93 176.25 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 m -84.48 137.31 33.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 71.8 m-85 -150.89 167.51 27.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -87.93 -174.96 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.8 t -85.63 12.74 8.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -120.06 -28.33 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.8 m -91.6 -37.47 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.4 t -93.64 42.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -121.77 42.18 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -118.49 117.44 29.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -81.88 116.65 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.426 ' CG2' HG13 ' A' ' 68' ' ' VAL . 18.1 m -137.5 150.76 69.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.76 19.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 179.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.8 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.881 0.372 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.2 m -132.02 166.72 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -101.38 123.15 44.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.426 HG13 ' CG2' ' A' ' 49' ' ' VAL . 25.0 m -124.04 170.87 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.604 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.6 p -88.35 143.11 27.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.34 -51.88 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.9 t -46.55 -42.0 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 75' ' ' THR . 98.8 m -79.04 -60.43 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.1 t30 -36.38 -40.91 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.96 -46.64 77.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.0 m -68.18 -50.95 51.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.923 0.392 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -46.3 154.55 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.576 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 4.4 m -100.79 11.0 40.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.07 -37.28 0.51 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.2 p -127.31 13.68 7.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.1 t 38.74 55.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.94 111.34 23.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 ttt-85 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -76.5 167.04 22.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 m -128.12 125.27 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.39 164.03 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 m -101.97 -31.31 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -85.98 -75.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.501 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.3 p -67.19 -33.98 76.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.24 38.03 35.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.42 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.501 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 36.0 m-20 -102.5 -174.89 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 p -93.7 131.58 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 84.3 m-85 -146.54 167.38 23.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.6 p -91.86 -179.91 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 t -81.41 14.71 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -124.16 -25.22 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.4 m -94.06 -36.8 11.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.9 t -92.44 36.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -105.88 35.93 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.517 ' CE2' ' HB1' ' A' ' 70' ' ' ALA . 98.5 m-85 -112.07 118.18 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -91.61 117.42 29.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.03 150.64 74.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 111.163 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 120.02 6.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.883 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.15 162.78 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -100.36 112.01 24.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.4 m -112.79 175.07 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.603 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.7 p -91.84 152.56 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -45.62 -47.61 14.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.5 t -50.45 -43.68 55.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 75' ' ' THR . 72.6 m -78.63 -60.52 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' CYS . 5.6 t30 -38.0 -38.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -70.36 -40.47 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 72' ' ' CYS . 88.0 m -70.46 -43.34 70.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.905 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -49.09 161.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.567 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 73.4 m -101.52 13.38 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.65 -48.96 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.91 12.68 14.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 t 44.67 30.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.95 101.61 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.782 0.325 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -92.16 160.33 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.5 m -120.73 135.03 55.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.6 t -71.14 164.74 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -104.57 -29.52 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -86.6 -74.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.471 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.5 p -66.48 -37.29 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.7 37.32 13.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.427 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.471 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 1.9 m-20 -112.57 172.9 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.1 m -81.77 147.08 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 82.5 m-85 -158.84 162.65 37.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.3 p -79.76 -175.57 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 m -83.24 -0.5 49.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -105.27 -27.53 11.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.72 -37.39 12.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 45.2 t -92.14 41.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -123.61 43.44 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -123.19 115.5 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -81.42 123.0 28.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.426 ' CG2' HG13 ' A' ' 68' ' ' VAL . 12.8 m -144.68 151.34 49.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 111.155 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.3 5.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.786 0.327 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.2 m -140.9 160.96 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -99.01 116.22 30.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.426 HG13 ' CG2' ' A' ' 49' ' ' VAL . 22.8 m -112.02 176.77 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.599 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.0 p -91.22 140.82 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.78 -56.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -43.1 -45.07 5.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 75' ' ' THR . 85.6 m -77.62 -63.71 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.6 t30 -35.43 -40.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -68.65 -44.69 73.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' CYS . 91.4 m -65.55 -44.46 86.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 t -52.9 160.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.562 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 33.6 m -103.71 8.18 37.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.57 -31.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' SER . 18.2 p -130.39 16.45 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' CYS . 3.8 m 33.79 54.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.67 106.83 17.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.926 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 39' ' ' SER . 6.4 ttp85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.792 0.329 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -92.93 144.8 24.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.2 p -112.09 124.51 52.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.5 t -56.14 164.88 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -104.81 -31.02 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -85.48 -73.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.3 p -65.82 -39.86 91.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.06 36.66 10.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.473 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 15.1 m-20 -109.27 174.94 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.413 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 10.8 p -84.86 142.88 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 87.9 m-85 -156.59 162.9 39.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -85.63 -177.63 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.9 p -80.7 6.06 13.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -110.83 -31.41 7.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.2 m -89.9 -35.99 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.7 t -94.62 34.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -108.25 36.18 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -123.14 127.97 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' CG ' ' CE1' ' A' ' 67' ' ' PHE . 7.0 mtpm? -97.44 136.39 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.473 HG21 ' CG2' ' A' ' 68' ' ' VAL . 27.6 m -149.47 152.47 35.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 111.18 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 127.93 15.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.388 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.0 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.793 0.33 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.5 m -123.47 161.29 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.637 ' CE1' ' CG ' ' A' ' 48' ' ' LYS . 84.4 m-85 -105.07 112.42 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.473 ' CG2' HG21 ' A' ' 49' ' ' VAL . 34.5 m -111.15 -178.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.611 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 23.5 p -97.13 143.73 27.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.41 -53.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 m -44.64 -48.09 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' THR . 83.2 m -77.18 -57.69 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' CYS . 9.9 t30 -38.03 -40.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -66.16 -44.61 83.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' CYS . 90.2 m -69.09 -48.96 61.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.9 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.9 t -62.11 153.15 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.557 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 3.3 m -99.25 27.94 4.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.172 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.25 -54.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p -107.25 -5.26 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m 61.29 39.22 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.36 118.41 35.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.899 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -99.04 161.19 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.0 m -116.04 129.26 56.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.05 164.8 9.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -99.18 -32.65 11.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -85.89 -75.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.452 ' SG ' ' CG ' ' A' ' 38' ' ' ASN . 15.4 p -68.33 -29.64 68.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.87 37.69 60.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.531 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 15.7 m-20 -104.02 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.2 p -83.14 138.43 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 87.6 m-85 -153.85 162.97 40.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -79.75 -176.04 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.4 p -85.56 7.34 23.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -117.15 -21.34 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.6 m -94.43 -38.3 11.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 45.1 t -90.98 42.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -118.48 43.64 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -117.86 118.31 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -85.52 122.07 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.1 m -144.62 148.43 39.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.742 . . . . 0.0 111.135 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 134.25 27.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.464 ' HE2' ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.5 p . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG1' ' HE2' ' A' ' 51' ' ' LYS . 16.9 m -126.23 165.35 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -100.89 126.94 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.5 m -125.45 175.95 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 15.0 p -97.29 146.72 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.24 -58.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.9 m -40.18 -39.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 75' ' ' THR . 85.4 m -84.06 -60.54 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -39.59 -39.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -67.08 -43.98 81.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' CYS . 66.5 m -68.15 -40.61 82.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.53 148.67 23.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 23.4 m -93.73 22.76 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.99 -49.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.5 p -116.54 -1.68 12.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m 55.21 43.24 29.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.56 102.48 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.07 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.874 0.368 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.4 mtt-85 -89.95 147.26 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m -113.47 123.36 49.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -52.32 164.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -99.31 -31.4 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -87.98 -75.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.4 p -65.88 -31.24 72.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.77 38.34 56.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.522 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 20.1 m-20 -105.67 174.02 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.9 p -82.79 140.6 32.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.586 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 89.2 m-85 -155.49 161.71 40.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.4 p -81.98 179.65 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.2 p -81.41 11.33 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.7 mmt-85 -118.88 -23.96 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.6 m -95.59 -34.14 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.5 t -93.65 36.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -113.14 37.24 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.88 112.55 22.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -81.74 120.33 25.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.439 HG23 ' CG1' ' A' ' 68' ' ' VAL . 33.2 m -134.73 144.16 49.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.71 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 127.2 14.19 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.232 . . . . 0.0 112.355 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.4 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.13 169.01 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -106.2 121.06 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.439 ' CG1' HG23 ' A' ' 49' ' ' VAL . 13.3 m -121.0 179.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.586 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 21.7 p -96.17 148.83 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.09 -50.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 m -47.05 -50.8 18.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' THR . 74.0 m -75.15 -58.92 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' CYS . 14.2 t30 -35.54 -40.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -68.83 -44.72 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' CYS . 90.7 m -66.09 -44.56 84.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.5 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m120 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.8 t -38.83 146.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.408 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 8.6 m -98.55 26.25 5.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.99 -49.12 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.83 -16.76 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 t 74.74 36.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.8 110.01 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.825 0.345 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -85.96 -176.44 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -137.71 123.23 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.4 t -60.97 165.08 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -104.43 -26.89 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -91.0 -75.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.474 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 14.3 p -68.3 -30.93 70.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.54 39.93 48.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 40.8 m-20 -105.07 177.67 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -92.12 131.54 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 93.8 m-85 -145.63 166.74 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.03 -176.16 6.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -84.19 11.35 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -119.19 -27.48 5.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.5 m -89.83 -35.7 15.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.6 t -95.66 43.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -116.71 36.98 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.33 128.38 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.429 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 25.1 mtpp -86.39 154.99 20.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.458 HG22 ' CG1' ' A' ' 68' ' ' VAL . 33.1 m -158.55 152.2 19.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.683 0.754 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.802 0.334 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.17 150.66 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -87.98 135.41 33.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.458 ' CG1' HG22 ' A' ' 49' ' ' VAL . 32.7 m -132.22 -179.12 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 19.8 p -93.36 142.32 27.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -35.04 -52.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -46.21 -46.56 17.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' THR . 97.3 m -75.25 -61.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -37.89 -38.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -67.64 -44.06 78.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' CYS . 95.4 m -71.13 -48.85 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.934 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m120 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.0 t -44.3 152.09 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.565 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 3.2 m -96.55 27.55 3.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.25 -57.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 p -107.82 -0.6 21.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.9 m 62.68 29.13 16.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.87 107.0 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.89 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 tpp85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.449 ' CD ' ' HA ' ' A' ' 42' ' ' SER . 31.8 mtt85 -87.24 146.61 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 m -111.12 136.01 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.0 t -69.28 164.63 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 t -101.39 -31.93 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -85.45 -75.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.4 p -66.24 -35.41 80.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.26 37.22 25.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.437 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 8.0 m-20 -108.04 177.41 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 8.8 m -84.87 145.12 27.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 89.2 m-85 -158.73 168.34 27.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.4 p -88.07 -176.9 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.449 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 23.0 t -82.46 4.52 23.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -110.47 -26.92 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 77.2 m -93.94 -37.13 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.42 42.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -121.95 37.68 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.406 ' CD1' ' CG ' ' A' ' 73' ' ' ASN . 72.8 m-85 -113.58 111.32 21.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -76.85 126.3 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.468 ' CG2' HG13 ' A' ' 68' ' ' VAL . 27.4 m -150.94 151.42 29.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.711 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.37 14.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.825 0.345 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.8 m -120.48 163.46 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -97.86 129.65 44.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.468 HG13 ' CG2' ' A' ' 49' ' ' VAL . 15.6 m -125.49 168.1 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.4 p -85.87 140.53 30.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.57 -56.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.4 t -41.99 -44.12 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 69' ' ' CYS . 92.6 m -79.32 -56.34 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.406 ' CG ' ' CD1' ' A' ' 47' ' ' PHE . 13.6 t30 -38.76 -40.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.59 -44.94 76.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' CYS . 70.9 m -65.68 -47.35 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 t -62.28 159.45 15.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.556 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 23.7 m -100.0 4.65 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.54 -58.24 0.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -103.17 12.83 35.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.5 m 42.86 32.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.88 100.18 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.98 175.83 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.4 p -141.93 121.33 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.2 t -54.23 160.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -103.37 -26.62 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -87.39 -72.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.504 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 20.6 p -68.44 -40.6 81.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.63 35.76 9.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.504 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 3.2 m-20 -107.2 169.19 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.1 p -80.67 143.33 33.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 74.8 m-85 -155.1 159.4 40.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.9 p -82.02 -175.51 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.1 t -81.86 0.98 37.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -107.23 -24.12 12.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 96.8 m -99.54 -31.03 11.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.0 t -95.49 41.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -121.34 43.15 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.23 117.49 23.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' C ' HG13 ' A' ' 49' ' ' VAL . 24.6 mtpp -88.55 128.46 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.409 HG13 ' C ' ' A' ' 48' ' ' LYS . 19.7 m -144.39 151.24 50.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 133.37 25.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 m -119.91 166.94 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -100.62 129.87 46.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.9 m -129.29 179.2 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 16.4 p -97.03 141.98 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.71 -58.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -41.22 -42.8 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 75' ' ' THR . 91.5 m -80.75 -63.78 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 72' ' ' CYS . 10.6 t30 -34.21 -35.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' CYS . 34.4 mt-30 -73.5 -47.63 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' CYS . 92.2 m -65.33 -41.95 93.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.935 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.0 t -53.3 147.72 9.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 24.8 m -96.63 21.15 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.68 -48.01 0.13 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.5 p -114.56 -6.14 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 m 59.21 46.38 13.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.77 103.3 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 -179.896 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -72.76 165.94 23.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 m -126.1 124.91 41.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.8 t -54.02 165.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -102.91 -30.62 10.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -87.38 -75.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.3 p -65.09 -36.05 83.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.88 37.48 22.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -105.27 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.3 p -92.8 142.78 26.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 70.6 m-85 -157.48 162.15 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -83.53 -179.35 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -82.88 19.84 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -127.67 -28.74 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.8 m -90.7 -37.47 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.6 t -90.51 41.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.0 41.22 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.419 ' HB3' ' CG ' ' A' ' 73' ' ' ASN . 93.1 m-85 -117.61 115.24 24.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' C ' HG12 ' A' ' 49' ' ' VAL . 22.9 mtpp -79.89 132.3 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.403 HG12 ' C ' ' A' ' 48' ' ' LYS . 22.8 m -148.77 151.84 36.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 127.04 14.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.303 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HD2' ' CG1' ' A' ' 66' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.484 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 19.2 m -118.82 160.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -102.53 117.6 35.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.1 m -112.48 -178.93 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.599 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 24.1 p -93.85 152.16 19.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.92 -47.63 5.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -51.15 -44.55 61.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' THR . 92.5 m -79.01 -62.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' CYS . 12.7 t30 -36.41 -41.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -67.07 -44.82 79.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' CYS . 88.2 m -66.01 -45.1 82.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.442 ' ND2' ' HG1' ' A' ' 23' ' ' THR . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.94 143.47 56.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.403 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.4 m -92.98 18.46 9.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.04 -48.82 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 p -110.77 -17.7 13.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.0 t 71.85 42.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.06 108.12 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.442 ' HG1' ' ND2' ' A' ' 16' ' ' ASN . 8.4 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.127 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -94.72 149.26 21.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m -113.39 129.51 56.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.2 t -61.52 165.14 5.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -102.09 -31.27 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -87.48 -74.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.1 p -65.07 -34.06 77.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.97 38.04 31.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 33.1 m-20 -108.59 -179.19 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 19.6 m -90.57 144.43 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 90.4 m-85 -158.26 163.3 37.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.89 178.22 7.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.5 p -76.78 4.13 10.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -107.23 -30.43 8.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.0 m -90.98 -36.99 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 44.7 t -88.56 45.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -122.46 42.94 3.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 88.4 m-85 -124.08 119.26 28.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -90.71 118.49 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.15 150.73 68.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 111.146 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 130.33 19.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.836 0.351 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.7 m -121.59 163.48 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -98.15 121.42 40.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.6 m -120.44 178.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.2 p -96.22 142.03 28.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.58 -53.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.0 t -44.39 -45.28 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' CYS . 92.9 m -79.75 -56.43 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.528 ' ND2' ' CD2' ' A' ' 47' ' ' PHE . 13.0 t30 -41.39 -38.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.78 -41.31 78.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 72' ' ' CYS . 85.3 m -69.09 -45.53 70.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.0 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.895 0.378 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.56 144.84 56.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -93.04 18.88 8.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.84 -49.17 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.542 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.24 1.1 14.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m 49.21 51.71 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.49 104.24 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -88.22 147.81 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 p -108.82 129.41 55.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.3 t -61.83 165.02 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -106.14 -29.28 9.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -86.66 -73.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.6 p -68.02 -36.6 80.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.26 38.57 14.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.419 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 22.0 m-20 -111.88 176.75 4.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -86.37 144.41 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.593 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 83.8 m-85 -158.02 159.22 36.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 p -82.32 179.28 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 p -77.2 0.71 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.501 ' NE ' ' O ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -104.29 -31.02 9.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 94.0 m -91.7 -33.42 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -96.29 40.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -113.14 29.02 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.14 122.08 42.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' CG ' ' CE1' ' A' ' 67' ' ' PHE . 23.3 mtmt -93.75 134.55 35.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.407 HG23 ' CD1' ' A' ' 76' ' ' LEU . 34.5 m -141.7 151.99 61.64 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.597 0.713 . . . . 0.0 111.126 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 131.54 21.36 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.867 0.365 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.39 162.17 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.449 ' CE1' ' CG ' ' A' ' 48' ' ' LYS . 92.2 m-85 -99.53 126.23 45.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.7 m -124.94 175.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 15.4 p -95.51 146.04 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.424 ' HB1' ' NE2' ' A' ' 74' ' ' GLN . . . -39.0 -58.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m -40.29 -38.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 75' ' ' THR . 97.1 m -84.26 -63.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 t30 -37.06 -39.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.424 ' NE2' ' HB1' ' A' ' 70' ' ' ALA . 2.3 mp0 -64.32 -43.97 93.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.2 m -70.12 -48.55 57.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.407 ' CD1' HG23 ' A' ' 49' ' ' VAL . 76.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.5 t -76.12 146.36 39.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.458 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.3 m -97.32 24.3 6.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.35 -40.18 0.19 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -123.6 -2.97 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m 56.6 46.76 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -111.85 105.84 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.809 0.338 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -82.08 173.55 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 m -135.76 127.06 28.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.47 163.89 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -100.92 -32.05 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -86.54 -75.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.451 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.8 p -66.91 -31.67 72.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.03 37.62 56.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.553 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 16.4 m-20 -104.05 177.81 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 p -87.42 139.49 30.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 95.8 m-85 -154.48 166.82 32.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -83.88 -175.4 5.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 p -85.82 12.31 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -120.79 -24.99 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -91.99 -38.03 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -92.75 44.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -122.94 46.3 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -125.87 121.98 34.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' CG ' ' CE1' ' A' ' 67' ' ' PHE . 56.0 mtpt -86.58 121.96 29.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.423 ' CG2' HG22 ' A' ' 68' ' ' VAL . 32.8 m -138.39 151.43 69.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 124.02 10.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.842 0.353 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.78 158.56 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.424 ' CE1' ' CG ' ' A' ' 48' ' ' LYS . 66.9 m-85 -98.54 123.77 42.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.423 HG22 ' CG2' ' A' ' 49' ' ' VAL . 27.1 m -124.13 178.95 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.3 p -92.5 151.1 20.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.15 -48.8 9.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.3 m -48.71 -42.08 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.892 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 75' ' ' THR . 68.2 m -81.82 -64.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.401 ' OD1' ' CG1' ' A' ' 49' ' ' VAL . 6.2 t30 -37.5 -38.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.37 -43.44 77.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.2 m -69.29 -38.86 78.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.91 151.45 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.487 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 21.9 m -96.7 19.87 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.183 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.1 -53.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.7 p -109.31 2.29 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.4 m 49.44 47.96 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.74 103.06 12.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.12 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.836 0.351 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -88.78 176.21 7.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.7 m -134.43 119.6 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.1 t -57.01 164.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -102.75 -29.81 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -87.61 -75.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.495 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.78 -33.89 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.68 37.51 30.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.495 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 15.9 m-20 -107.05 173.6 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 m -86.94 135.64 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.592 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 95.0 m-85 -146.1 162.45 37.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 p -77.0 -175.0 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.5 m -84.33 0.42 49.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 43' ' ' ARG . 12.4 mtp-105 -109.22 -20.61 12.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.3 m -97.06 -34.62 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 47.2 t -94.42 40.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -119.51 30.52 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 87.2 m-85 -111.56 112.62 24.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -78.96 132.95 36.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -148.56 148.54 28.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 121.35 8.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.383 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 m -106.82 167.1 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.171 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -101.56 124.5 47.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.54 171.95 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.592 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.9 p -89.63 141.57 28.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -36.5 -57.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 t -41.26 -41.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 75' ' ' THR . 91.2 m -80.62 -64.26 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' CYS . 3.8 t30 -34.73 -39.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -67.1 -48.19 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 72' ' ' CYS . 19.9 m -70.05 -53.38 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.901 0.381 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 t -52.39 148.8 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.563 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.8 m -96.67 21.79 8.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.201 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.43 -55.09 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.5 p -105.43 -1.76 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.346 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m 55.29 47.02 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.35 106.24 15.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.896 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.7 mtt85 -87.25 164.4 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 p -124.19 125.42 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.6 t -62.5 164.76 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -101.79 -30.33 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -87.92 -75.42 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 15.7 p -66.51 -32.72 74.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.78 37.97 37.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.529 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 10.0 m-20 -107.12 173.93 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.9 m -87.94 137.58 32.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.563 ' CE1' ' HB ' ' A' ' 18' ' ' THR . 92.4 m-85 -150.44 166.89 28.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.4 p -82.54 -176.76 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -83.21 9.84 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -115.0 -30.28 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.8 m -86.99 -39.37 15.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 t -90.43 42.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -117.32 39.06 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -119.9 125.22 47.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -92.57 116.92 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.423 ' CG2' HG13 ' A' ' 68' ' ' VAL . 22.0 m -133.45 149.34 72.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.02 11.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.301 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HE2' ' CG1' ' A' ' 66' ' ' VAL . 14.8 ptpt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.5 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.424 ' CG1' ' HE2' ' A' ' 51' ' ' LYS . 29.0 m -113.81 170.08 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.51 131.02 46.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.423 HG13 ' CG2' ' A' ' 49' ' ' VAL . 32.7 m -132.9 166.31 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.556 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 17.3 p -86.14 143.32 28.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.74 -54.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 t -42.23 -40.49 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' THR . 75.6 m -82.97 -61.05 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' CYS . 1.7 t30 -35.92 -37.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -72.5 -44.2 62.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' CYS . 91.6 m -66.57 -44.38 82.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.7 t -41.22 160.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 2.9 m -103.67 12.83 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.16 -38.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' SER . 24.9 p -123.59 13.19 9.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' CYS . 37.9 m 37.13 50.51 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.07 110.01 22.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -79.25 177.63 8.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 m -131.02 129.47 42.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 39.9 t -66.64 164.7 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 m -105.24 -27.91 11.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -87.95 -75.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.504 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 15.5 p -67.66 -37.52 82.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.38 38.66 12.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 13.1 m-20 -107.81 177.57 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -85.52 137.06 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.574 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 87.9 m-85 -153.16 166.77 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.58 -178.17 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.3 t -80.36 2.43 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -107.49 -27.97 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.4 m -95.25 -34.09 12.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.24 35.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 p -111.36 34.9 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -112.61 117.03 31.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 8.0 mtpm? -85.55 127.2 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.473 HG23 ' CG1' ' A' ' 68' ' ' VAL . 30.8 m -142.92 152.54 59.06 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.572 0.701 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 130.14 18.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.625 2.217 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.6 m -120.39 161.72 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.523 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 8.7 m-85 -98.58 134.28 41.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.473 ' CG1' HG23 ' A' ' 49' ' ' VAL . 19.0 m -129.45 171.08 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.574 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 16.9 p -90.73 146.53 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.95 -61.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -39.72 -35.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' THR . 88.1 m -86.91 -59.61 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -41.05 -38.95 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -66.91 -40.38 87.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' CYS . 85.3 m -72.34 -43.1 64.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.5 t -40.47 161.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.544 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 45.6 m -95.29 -9.09 34.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.08 -64.22 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.49 -8.11 39.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m 55.71 46.58 22.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' THR . . . -94.73 103.45 15.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ALA . 3.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -78.2 161.12 27.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -123.44 125.11 44.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 38.8 t -58.27 164.29 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -100.66 -32.63 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -85.43 -75.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.5 p -65.44 -35.54 81.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.25 37.4 28.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -108.3 174.85 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 m -82.21 141.59 32.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 66.7 m-85 -155.81 164.19 38.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 p -86.93 177.31 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -78.79 11.3 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -117.45 -29.22 5.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.9 m -91.44 -35.9 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 8.7 t -95.49 37.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 p -110.89 36.5 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -118.51 117.48 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 26.5 mtpp -88.17 119.9 29.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.465 ' CG2' HG11 ' A' ' 68' ' ' VAL . 19.6 m -131.29 151.41 78.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 133.04 24.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.808 0.337 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 m -116.97 150.39 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.526 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 42.4 m-85 -93.82 128.41 40.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.465 HG11 ' CG2' ' A' ' 49' ' ' VAL . 19.6 m -128.32 175.95 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.576 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.5 p -90.45 147.89 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.25 -54.42 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -43.78 -43.42 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 75' ' ' THR . 90.2 m -80.43 -63.01 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.9 t30 -36.5 -41.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -64.8 -44.44 89.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' CYS . 80.2 m -69.66 -49.12 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 m -123.05 127.93 49.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -101.64 144.8 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.89 56.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -127.66 133.15 49.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -97.74 125.92 42.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.06 65.51 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 159.25 38.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -39.31 143.25 0.53 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.667 0.746 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -5.58 16.53 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -95.17 167.74 11.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -129.31 156.09 44.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.76 150.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -148.01 175.34 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.44 -18.61 8.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -140.38 175.9 9.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.7 t -61.97 150.99 36.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 18' ' ' THR . 49.6 m -97.46 20.66 11.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.61 -51.87 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.63 2.63 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 m 49.46 44.74 24.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.23 102.86 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.9 m -41.21 149.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CD2' ' HD2' ' A' ' 30' ' ' ARG . 24.2 m-85 -94.18 94.92 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.3 p -74.61 170.2 16.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 p -43.35 -34.42 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mp -77.66 -50.2 12.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -72.48 137.3 46.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.42 125.14 53.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.568 ' HD2' ' CD2' ' A' ' 24' ' ' PHE . 15.3 ttt180 -61.53 99.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -80.31 174.57 11.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -134.99 124.62 25.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.8 t -60.96 164.01 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -104.07 -30.83 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -85.69 -74.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.425 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.8 -36.5 82.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.59 37.56 19.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 7.8 m-20 -108.71 172.37 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -85.92 142.73 28.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 92.3 m-85 -153.83 163.59 39.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.3 p -79.86 -175.21 4.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 t -84.72 11.1 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -118.21 -26.6 6.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.1 m -91.23 -36.22 14.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.4 t -91.8 36.22 0.96 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -111.5 39.66 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -119.89 123.51 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -92.71 127.51 38.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.42 ' CG2' HG11 ' A' ' 68' ' ' VAL . 33.9 m -146.28 148.45 34.72 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.581 0.705 . . . . 0.0 111.159 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.66 54.82 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HE2' ' CG1' ' A' ' 66' ' ' VAL . 17.2 ptpt -92.08 -27.28 17.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.4 p -51.37 -39.17 56.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.4 p -106.71 40.68 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 34.0 ttm -103.35 -44.79 5.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.26 -38.54 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -125.52 120.85 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.093 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.1 p -91.12 132.18 36.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.97 149.12 48.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.571 0.701 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -1.19 8.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -90.44 -61.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.409 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . . . -88.64 102.7 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -120.11 -56.96 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -103.81 42.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -97.5 155.13 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 p -131.53 118.69 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.421 ' CG1' ' HE2' ' A' ' 51' ' ' LYS . 35.3 m -109.73 162.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -98.77 132.75 43.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 49' ' ' VAL . 35.9 m -135.13 168.65 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 17.2 p -87.67 141.51 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -36.08 -57.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.084 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -39.86 -42.12 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' THR . 77.3 m -82.4 -58.81 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' CYS . 4.0 t30 -37.67 -38.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -70.29 -44.83 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' CYS . 53.9 m -65.78 -41.5 91.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.99 -49.49 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.3 t -48.98 -62.03 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -83.82 151.96 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.3 p -103.39 163.46 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.75 -98.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 165.37 31.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 0.0 112.376 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -73.8 111.54 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.2 t -43.51 119.62 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.503 -179.951 . . . . . . . . 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 -0.296 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -90.77 104.51 17.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -137.49 109.04 6.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.69 142.94 12.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 m -41.57 158.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -64.36 -51.44 63.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.71 -62.57 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -53.43 123.51 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.49 ' CD2' HG21 ' A' ' 11' ' ' THR . 9.4 p90 -99.27 143.69 26.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.726 0.774 . . . . 0.0 110.899 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 121.95 8.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.37 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.49 HG21 ' CD2' ' A' ' 9' ' ' TYR . 41.3 p -139.42 146.35 40.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.38 143.88 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -83.84 165.36 18.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -98.69 178.13 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.9 -37.7 3.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.537 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.441 ' ND2' ' HG1' ' A' ' 23' ' ' THR . 0.9 OUTLIER -122.24 152.8 39.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.7 t -48.14 149.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.505 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 10.9 m -95.46 21.85 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.9 -57.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 p -104.41 -2.66 25.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.0 m 58.56 40.41 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.54 103.68 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 16' ' ' ASN . 6.6 m -41.31 149.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.531 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 64.8 m-85 -88.94 95.99 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -77.71 -174.92 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 p -59.39 -23.54 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.24 24.27 11.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' CE ' ' NH2' ' A' ' 43' ' ' ARG . 47.7 mttt -139.32 107.89 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -87.56 117.04 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.531 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 7.2 ttp180 -55.57 97.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -84.82 152.55 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.4 m -113.16 123.55 50.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.9 t -52.73 165.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -100.38 -33.46 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -84.84 -74.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.483 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.9 p -66.95 -32.51 73.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.15 37.44 42.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.501 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 21.3 m-20 -105.51 175.17 5.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.82 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 57.6 p -81.34 143.52 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 86.5 m-85 -159.67 163.7 34.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -79.97 -175.28 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 m -84.11 0.91 46.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.485 ' NH2' ' CE ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -109.93 -20.75 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.4 m -95.91 -37.83 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.7 t -92.84 44.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -127.1 33.36 4.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -106.38 107.93 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -74.82 118.88 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.0 m -138.18 146.38 51.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.732 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.49 14.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 -28.05 33.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.3 t -60.39 -45.33 93.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.7 p -92.56 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.9 ttm -107.04 -57.18 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.24 -78.14 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.56 83.7 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -58.88 132.44 53.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.5 164.56 15.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.621 0.724 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -17.44 37.37 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 pm0 -108.18 -23.48 11.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.27 82.53 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -115.51 -48.19 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -117.07 42.96 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -101.99 144.35 30.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.2 p -118.49 137.04 53.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.7 m -126.46 169.39 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -107.92 126.56 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.69 179.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.595 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.9 p -97.71 142.31 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.94 -47.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -49.64 -48.69 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 75' ' ' THR . 72.2 m -75.59 -59.42 2.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 t30 -36.11 -38.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.97 -44.38 76.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' CYS . 94.9 m -68.22 -46.78 69.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.0 mt -55.48 -56.88 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.0 t -59.69 -49.01 79.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -84.96 94.83 8.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.1 p -116.27 97.12 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.51 -95.09 1.52 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 90.82 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -105.84 42.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -152.51 129.85 11.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.453 179.991 . . . . . . . . 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 1.452 -0.278 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -48.59 147.6 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -167.7 140.31 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.91 177.94 15.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -130.99 142.43 50.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -123.3 139.15 54.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.99 144.66 6.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -163.75 146.98 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -148.65 134.68 9.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.709 0.766 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 169.19 19.44 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.74 2.293 . . . . 0.0 112.371 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -174.33 121.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -172.22 128.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -40.95 104.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.475 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 20.8 p90 -88.19 95.58 10.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.484 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . -144.07 42.15 1.07 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -142.28 170.99 14.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.8 t -55.54 158.56 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.445 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 2.4 m -97.81 5.64 48.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.51 -56.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.9 p -103.87 8.47 36.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.4 p 38.87 42.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.6 100.17 11.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.3 m -38.79 147.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CE2' ' HD2' ' A' ' 30' ' ' ARG . 37.0 m-85 -92.79 104.04 16.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -73.23 178.81 4.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m -54.01 -32.33 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.42 -57.78 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -58.86 114.77 2.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -91.62 115.35 27.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.557 ' HD2' ' CE2' ' A' ' 24' ' ' PHE . 8.3 ttp180 -48.26 111.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -89.02 153.53 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -118.32 122.05 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.5 t -57.66 164.28 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -102.67 -31.47 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -85.64 -74.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.6 p -67.05 -35.24 79.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.12 37.3 29.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.494 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 12.4 m-20 -106.32 174.28 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 p -85.77 136.77 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 86.7 m-85 -149.1 163.18 38.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -82.61 -175.78 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.5 m -85.53 12.91 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -120.68 -27.14 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.8 m -92.72 -31.01 15.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.3 t -100.19 36.54 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 p -108.14 32.58 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -119.28 124.43 46.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 24.6 mtmt -96.21 131.03 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' CG2' HG12 ' A' ' 68' ' ' VAL . 31.8 m -138.04 150.26 66.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.22 8.9 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HD2' ' CG1' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -79.49 -46.94 16.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.6 p -54.73 -43.28 72.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 p -101.49 39.52 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.2 ttm -92.52 -59.65 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -159.66 -38.63 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.52 89.12 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 76.8 p -57.81 103.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.87 145.64 30.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.697 . . . . 0.0 111.11 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -16.25 37.53 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 4.2 pt-20 -86.5 -29.33 22.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 60' ' ' GLU . . . -115.56 117.63 30.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -140.44 135.12 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.93 41.68 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -106.86 161.03 15.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.3 p -119.29 153.07 35.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 20.8 m -148.74 156.1 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.422 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 86.7 m-85 -93.77 130.18 39.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.452 HG12 ' CG2' ' A' ' 49' ' ' VAL . 23.4 m -132.05 173.16 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.604 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 21.1 p -91.21 145.36 24.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.65 -53.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -44.97 -39.55 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 75' ' ' THR . 93.3 m -84.21 -62.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' CYS . 5.4 t30 -37.48 -39.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -67.83 -42.67 81.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 72' ' ' CYS . 73.2 m -70.54 -44.34 67.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 77' ' ' SER . 43.5 mt -61.09 -60.1 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 76' ' ' LEU . 38.3 t -35.3 -44.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -40.81 148.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 m -120.4 170.37 9.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.436 ' C ' ' H ' ' A' ' 82' ' ' SER . . . 159.69 -177.65 36.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 9.67 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.345 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.436 ' H ' ' C ' ' A' ' 80' ' ' GLY . 83.0 p -71.77 67.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -150.09 138.61 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.479 -179.987 . . . . . . . . 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 -0.302 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -111.57 128.91 56.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -102.83 130.4 49.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.33 73.08 1.49 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -98.6 40.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -72.22 163.45 27.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.9 102.4 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -139.72 132.29 28.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.818 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -155.05 151.61 23.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.657 0.741 . . . . 0.0 110.975 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 131.8 22.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.2 t -43.2 140.12 1.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -134.39 -39.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -51.05 -45.55 61.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.98 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.64 -33.9 2.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.0 163.11 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.3 t -39.78 158.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.57 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 26.8 m -92.41 -1.72 56.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.01 -61.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 22' ' ' ALA . 26.8 p -102.59 19.37 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.344 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' CYS . 83.8 p 36.38 30.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . -65.92 100.18 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -51.65 146.29 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.551 ' CE2' ' HD2' ' A' ' 30' ' ' ARG . 11.4 m-85 -108.48 109.73 21.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 m -129.01 -68.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 27' ' ' LEU . 7.5 p -134.79 -51.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 20.7 mt -87.94 38.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -173.49 125.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -109.35 129.93 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HD2' ' CE2' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -73.7 105.82 5.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -87.4 -176.1 5.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.4 m -136.41 119.75 16.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.8 t -55.97 164.44 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -101.89 -31.82 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -85.9 -75.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.465 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.17 -35.9 81.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.88 37.72 25.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.465 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 26.1 m-20 -106.93 176.25 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 m -84.48 137.31 33.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 71.8 m-85 -150.89 167.51 27.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -87.93 -174.96 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.8 t -85.63 12.74 8.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -120.06 -28.33 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.8 m -91.6 -37.47 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.4 t -93.64 42.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -121.77 42.18 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -118.49 117.44 29.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -81.88 116.65 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' CG2' HG13 ' A' ' 68' ' ' VAL . 18.1 m -137.5 150.76 69.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.76 19.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 52' ' ' SER . 12.1 ptpt -84.39 -34.43 23.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 36.1 p -38.41 -51.28 1.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.8 m -54.46 -54.96 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -54.86 143.65 25.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.12 -122.57 16.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.74 113.22 13.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.1 p -39.26 129.23 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.25 158.45 58.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.061 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 1.28 4.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.334 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -97.59 -44.46 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.05 117.48 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -120.47 -44.94 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.14 25.06 5.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.59 166.13 11.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.8 p -131.6 136.45 47.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.2 m -132.02 166.72 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -101.38 123.15 44.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.426 HG13 ' CG2' ' A' ' 49' ' ' VAL . 25.0 m -124.04 170.87 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.604 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.6 p -88.35 143.11 27.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.34 -51.88 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.9 t -46.55 -42.0 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 75' ' ' THR . 98.8 m -79.04 -60.43 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.1 t30 -36.38 -40.91 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.96 -46.64 77.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.0 m -68.18 -50.95 51.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 mt -51.65 -57.37 9.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.7 p -43.06 -43.57 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -73.08 174.46 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -45.93 -52.24 11.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.79 84.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -22.47 32.28 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.383 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 83' ' ' SER . 37.7 t -107.89 149.87 27.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 82' ' ' SER . 80.5 p -36.53 -44.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.455 -179.92 . . . . . . . . 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 1.452 -0.289 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -60.56 161.83 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -134.03 157.84 45.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.73 -143.35 5.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -163.18 160.59 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.836 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -123.12 119.19 29.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.04 78.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -63.13 176.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -57.41 137.96 81.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -175.86 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.4 p -120.17 137.95 53.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -169.96 154.97 5.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -51.59 165.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -78.65 -60.41 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.61 -37.14 3.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.18 166.73 22.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -46.3 154.55 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.576 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 4.4 m -100.79 11.0 40.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.07 -37.28 0.51 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.2 p -127.31 13.68 7.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.1 t 38.74 55.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.94 111.34 23.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 m -61.99 138.04 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 30' ' ' ARG . 1.4 m-85 -99.18 96.95 8.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -134.9 -61.4 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.57 -45.71 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 mt -147.85 -175.01 4.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' LYS . 6.5 mtpp 63.85 54.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' LYS . 58.0 mttp -33.59 130.23 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 17.9 ttt-85 -55.85 91.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -76.5 167.04 22.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 m -128.12 125.27 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.39 164.03 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 m -101.97 -31.31 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -85.98 -75.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.501 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.3 p -67.19 -33.98 76.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.24 38.03 35.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.42 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.501 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 36.0 m-20 -102.5 -174.89 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 p -93.7 131.58 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 84.3 m-85 -146.54 167.38 23.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.6 p -91.86 -179.91 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 t -81.41 14.71 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -124.16 -25.22 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.4 m -94.06 -36.8 11.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.9 t -92.44 36.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -105.88 35.93 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.517 ' CE2' ' HB1' ' A' ' 70' ' ' ALA . 98.5 m-85 -112.07 118.18 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -91.61 117.42 29.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.03 150.64 74.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 111.163 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 120.02 6.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 64' ' ' GLU . 9.1 ptpt -75.32 -30.49 60.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.3 p -50.43 -29.31 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.799 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.0 m -102.37 63.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 56' ' ' ALA . 5.4 mmt -136.54 133.78 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 54' ' ' MET . . . 35.21 -94.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 54' ' ' MET . . . -109.82 130.6 55.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.6 p -69.77 152.58 44.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.07 152.11 76.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.95 35.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -84.36 -54.3 4.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.47 95.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -136.1 105.15 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 71.96 40.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.46 ' HB3' ' CG ' ' A' ' 51' ' ' LYS . 2.9 tm-20 -109.43 137.35 47.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.9 p -104.82 132.61 50.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.15 162.78 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -100.36 112.01 24.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.4 m -112.79 175.07 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.603 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.7 p -91.84 152.56 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -45.62 -47.61 14.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.5 t -50.45 -43.68 55.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 75' ' ' THR . 72.6 m -78.63 -60.52 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' CYS . 5.6 t30 -38.0 -38.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 78' ' ' LYS . 61.8 mm-40 -70.36 -40.47 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 72' ' ' CYS . 88.0 m -70.46 -43.34 70.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.5 mt -63.48 -49.01 75.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -69.93 -51.37 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 74' ' ' GLN . 48.5 tttm -47.47 127.33 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.8 p -78.15 132.49 37.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.2 163.19 15.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.439 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 82' ' ' SER . 54.0 Cg_endo -69.72 3.55 2.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 81' ' ' PRO . 23.0 m -32.8 131.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -134.16 99.74 4.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.438 -179.97 . . . . . . . . 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 1.451 -0.306 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -59.32 127.31 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -156.96 131.53 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.23 170.37 21.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -109.94 161.98 14.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -88.1 171.2 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.71 135.06 2.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -156.43 170.92 21.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.344 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.411 ' CE2' ' CG2' ' A' ' 11' ' ' THR . 10.3 p90 -121.78 139.43 30.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.74 54.89 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.411 ' CG2' ' CE2' ' A' ' 9' ' ' TYR . 75.6 p -149.61 121.33 8.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -100.15 -50.3 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -139.55 165.66 26.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -120.13 39.91 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . -113.14 52.37 0.65 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -141.75 168.22 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -49.09 161.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.567 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 73.4 m -101.52 13.38 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.65 -48.96 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.91 12.68 14.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 t 44.67 30.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.95 101.61 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 m -46.46 149.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 30' ' ' ARG . 59.9 m-85 -101.74 92.2 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 26' ' ' VAL . 2.7 m -77.79 157.31 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' SER . 7.5 p -34.08 -41.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.67 -55.9 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' CE ' ' HB2' ' A' ' 41' ' ' CYS . 23.6 tttt -71.89 131.02 42.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -100.37 119.18 38.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 24' ' ' PHE . 6.7 ttp180 -57.15 117.45 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -92.16 160.33 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.5 m -120.73 135.03 55.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.6 t -71.14 164.74 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -104.57 -29.52 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -86.6 -74.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.5 p -66.48 -37.29 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.7 37.32 13.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.427 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.471 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 1.9 m-20 -112.57 172.9 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.1 m -81.77 147.08 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 82.5 m-85 -158.84 162.65 37.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.466 ' HB2' ' CE ' ' A' ' 28' ' ' LYS . 25.3 p -79.76 -175.57 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 m -83.24 -0.5 49.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -105.27 -27.53 11.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.72 -37.39 12.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 45.2 t -92.14 41.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -123.61 43.44 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -123.19 115.5 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -81.42 123.0 28.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' CG2' HG13 ' A' ' 68' ' ' VAL . 12.8 m -144.68 151.34 49.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 111.155 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.3 5.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HD2' ' CB ' ' A' ' 61' ' ' ALA . 13.6 ptpt -49.94 -33.12 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.5 p -63.64 161.38 14.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.4 m 62.43 35.6 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.1 mtm -128.06 42.53 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.48 -97.19 1.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.6 95.91 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.072 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 p -136.82 -179.27 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.02 154.74 49.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 0.45 5.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.62 2.213 . . . . 0.0 112.386 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.91 -49.86 7.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.455 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . . . -73.96 71.69 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -106.11 -58.92 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -61.46 -31.94 71.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.71 153.38 10.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.7 p -135.83 157.34 47.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.2 m -140.9 160.96 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -99.01 116.22 30.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.426 HG13 ' CG2' ' A' ' 49' ' ' VAL . 22.8 m -112.02 176.77 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.599 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.0 p -91.22 140.82 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.78 -56.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -43.1 -45.07 5.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 75' ' ' THR . 85.6 m -77.62 -63.71 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.6 t30 -35.43 -40.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -68.65 -44.69 73.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' CYS . 91.4 m -65.55 -44.46 86.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.3 mt -59.47 -55.83 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.7 m -83.82 48.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.78 86.2 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 97.0 p -55.92 176.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.67 -152.69 19.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 172.71 12.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -78.94 103.44 8.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -104.16 -56.01 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.488 -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 -0.329 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t 37.69 42.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -116.88 106.7 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.57 47.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -94.14 82.98 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -112.15 169.17 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.34 125.13 1.93 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -105.17 167.09 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -130.49 144.94 55.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 171.81 13.79 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.644 2.229 . . . . 0.0 112.355 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.7 m -133.19 122.07 23.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.64 41.9 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -129.21 83.49 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -113.71 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.467 ' C ' ' ND2' ' A' ' 16' ' ' ASN . . . 69.53 37.12 77.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.467 ' ND2' ' C ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -138.24 161.66 36.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 t -52.9 160.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.562 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 33.6 m -103.71 8.18 37.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.57 -31.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' SER . 18.2 p -130.39 16.45 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' CYS . 3.8 m 33.79 54.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.67 106.83 17.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -49.96 141.09 11.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.406 ' CD2' ' HD2' ' A' ' 30' ' ' ARG . 50.1 m-85 -91.88 114.59 27.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.6 m -103.56 175.43 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m -49.04 -18.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mp -91.97 -55.91 3.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 103.8 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -74.64 118.53 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 39' ' ' SER . 6.4 ttp85 -55.1 109.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -92.93 144.8 24.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.2 p -112.09 124.51 52.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.5 t -56.14 164.88 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -104.81 -31.02 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -85.48 -73.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.3 p -65.82 -39.86 91.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.06 36.66 10.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.473 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 15.1 m-20 -109.27 174.94 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.413 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 10.8 p -84.86 142.88 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 87.9 m-85 -156.59 162.9 39.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -85.63 -177.63 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.9 p -80.7 6.06 13.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -110.83 -31.41 7.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.2 m -89.9 -35.99 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.7 t -94.62 34.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -108.25 36.18 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -123.14 127.97 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' CG ' ' CE1' ' A' ' 67' ' ' PHE . 7.0 mtpm? -97.44 136.39 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.473 HG21 ' CG2' ' A' ' 68' ' ' VAL . 27.6 m -149.47 152.47 35.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 111.18 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 127.93 15.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.388 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' CD ' ' HB3' ' A' ' 64' ' ' GLU . 15.8 ptmt -81.34 -30.87 33.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.3 p -56.25 -36.16 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.8 p -93.35 41.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.454 ' SD ' ' C ' ' A' ' 54' ' ' MET . 1.9 ppp? -173.09 173.8 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.86 -159.69 1.73 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.49 117.68 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.068 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.2 p -68.58 103.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.72 149.0 39.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 0.0 111.089 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.452 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 53.8 Cg_endo -69.76 -0.17 6.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -94.99 -50.11 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.49 112.73 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 16.7 mt-30 -145.12 121.52 10.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 57.42 49.75 12.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.488 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 4.5 tp10 -109.63 164.22 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.0 p -122.23 125.87 46.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.5 m -123.47 161.29 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.637 ' CE1' ' CG ' ' A' ' 48' ' ' LYS . 84.4 m-85 -105.07 112.42 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.473 ' CG2' HG21 ' A' ' 49' ' ' VAL . 34.5 m -111.15 -178.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.611 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 23.5 p -97.13 143.73 27.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.41 -53.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 m -44.64 -48.09 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' THR . 83.2 m -77.18 -57.69 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' CYS . 9.9 t30 -38.03 -40.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -66.16 -44.61 83.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' CYS . 90.2 m -69.09 -48.96 61.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.07 -53.27 56.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -83.45 48.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.98 86.78 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -101.25 122.18 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.71 144.07 10.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.74 36.19 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 m -107.89 -43.51 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -160.68 159.95 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.521 -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 1.45 -0.374 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -146.65 123.48 11.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 t -77.82 -44.92 25.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.96 116.94 3.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 m -136.42 175.02 9.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 p -173.25 165.3 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.41 85.5 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.553 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -156.14 122.04 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 8' ' ' ARG . 62.7 m-85 -158.76 148.58 15.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.683 0.754 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -171.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.3 p -89.27 97.72 11.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.13 81.39 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.23 130.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -114.25 178.31 4.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 153.64 -38.64 0.71 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -118.66 174.41 6.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.9 t -62.11 153.15 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.557 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 3.3 m -99.25 27.94 4.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.172 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.25 -54.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p -107.25 -5.26 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m 61.29 39.22 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.36 118.41 35.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.6 m -64.12 145.38 56.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.552 ' CE2' ' HG3' ' A' ' 30' ' ' ARG . 3.6 m-85 -93.77 100.87 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.1 t -107.09 -67.84 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -133.91 -56.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mp -60.74 -58.92 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -85.48 130.26 34.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -111.23 119.3 38.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 8.2 ttp85 -44.44 98.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -99.04 161.19 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.0 m -116.04 129.26 56.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.05 164.8 9.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -99.18 -32.65 11.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -85.89 -75.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.452 ' SG ' ' CG ' ' A' ' 38' ' ' ASN . 15.4 p -68.33 -29.64 68.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.87 37.69 60.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.531 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 15.7 m-20 -104.02 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.2 p -83.14 138.43 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 87.6 m-85 -153.85 162.97 40.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -79.75 -176.04 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.4 p -85.56 7.34 23.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -117.15 -21.34 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.6 m -94.43 -38.3 11.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 45.1 t -90.98 42.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -118.48 43.64 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -117.86 118.31 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -85.52 122.07 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.1 m -144.62 148.43 39.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.742 . . . . 0.0 111.135 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 134.25 27.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.464 ' HE2' ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -91.39 30.39 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 t -112.47 -42.54 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' MET . 12.8 t -67.32 -39.66 85.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' SER . 43.8 mtt -35.67 -49.71 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.0 145.5 8.19 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.03 138.87 14.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 58' ' ' ALA . 14.8 t -169.36 167.57 10.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 57' ' ' THR . . . -36.49 144.41 0.27 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.577 0.703 . . . . 0.0 111.081 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.62 5.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -65.1 -46.04 82.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.7 80.87 6.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -130.15 139.97 50.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 5.3 mmp_? 62.0 35.11 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 65' ' ' THR . 29.4 tp10 -106.68 157.69 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.43 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 68.5 p -124.05 128.48 49.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG1' ' HE2' ' A' ' 51' ' ' LYS . 16.9 m -126.23 165.35 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -100.89 126.94 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.5 m -125.45 175.95 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 15.0 p -97.29 146.72 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.24 -58.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.9 m -40.18 -39.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 75' ' ' THR . 85.4 m -84.06 -60.54 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -39.59 -39.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -67.08 -43.98 81.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' CYS . 66.5 m -68.15 -40.61 82.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.22 -49.24 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.2 t -90.54 45.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -105.97 151.42 24.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.9 p -111.65 100.22 8.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.55 170.46 25.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 168.36 21.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.22 . . . . 0.0 112.371 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.7 p -162.61 122.91 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.4 m -151.23 154.03 36.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.473 -179.974 . . . . . . . . 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 -0.337 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -106.46 108.04 19.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.954 0.407 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -145.67 137.5 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.38 -163.62 12.11 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 t -97.49 41.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -40.24 102.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.62 122.57 2.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.455 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -121.36 161.8 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -113.09 138.1 22.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.6 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -78.49 105.79 10.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -39.99 -64.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -159.33 179.74 8.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -94.66 174.86 6.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.81 -38.3 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -137.31 170.4 16.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.53 148.67 23.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 23.4 m -93.73 22.76 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.99 -49.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.5 p -116.54 -1.68 12.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m 55.21 43.24 29.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.56 102.48 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.07 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 24' ' ' PHE . 10.1 m -40.27 147.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 45.4 m-85 -92.06 128.18 37.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.0 p -106.11 -177.81 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.2 m -51.76 -43.2 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.0 mt -74.63 -59.19 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.32 89.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 121.01 18.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 10.6 ttp180 -49.16 108.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.4 mtt-85 -89.95 147.26 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m -113.47 123.36 49.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -52.32 164.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -99.31 -31.4 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -87.98 -75.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.4 p -65.88 -31.24 72.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.77 38.34 56.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.522 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 20.1 m-20 -105.67 174.02 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.9 p -82.79 140.6 32.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.586 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 89.2 m-85 -155.49 161.71 40.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.4 p -81.98 179.65 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.2 p -81.41 11.33 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.7 mmt-85 -118.88 -23.96 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.6 m -95.59 -34.14 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.5 t -93.65 36.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -113.14 37.24 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.88 112.55 22.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -81.74 120.33 25.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG23 ' CG1' ' A' ' 68' ' ' VAL . 33.2 m -134.73 144.16 49.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.71 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 127.2 14.19 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.232 . . . . 0.0 112.355 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.414 ' CG ' ' HB3' ' A' ' 64' ' ' GLU . 12.1 ptpt -79.68 -34.18 40.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -47.85 -23.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.4 p -109.01 56.73 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.8 mtt -127.7 76.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.28 -95.06 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.41 103.48 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.8 t -72.11 147.7 46.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.81 151.59 48.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 1.07 4.78 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.06 -23.69 12.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.07 93.33 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ARG . 27.2 mt-30 -129.5 153.35 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLN . 67.0 mtt180 37.11 39.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.414 ' HB3' ' CG ' ' A' ' 51' ' ' LYS . 40.8 tp10 -107.34 154.67 20.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.4 p -122.44 138.1 54.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.13 169.01 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -106.2 121.06 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' CG1' HG23 ' A' ' 49' ' ' VAL . 13.3 m -121.0 179.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.586 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 21.7 p -96.17 148.83 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.09 -50.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 m -47.05 -50.8 18.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' THR . 74.0 m -75.15 -58.92 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' CYS . 14.2 t30 -35.54 -40.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -68.83 -44.72 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' CYS . 90.7 m -66.09 -44.56 84.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.77 -55.87 27.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 t -42.08 -60.56 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -64.55 137.27 57.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 t -86.88 130.2 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 165.36 131.32 1.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 165.59 30.38 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 92.1 p -79.23 126.98 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.4 m -81.52 -52.91 6.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.513 179.975 . . . . . . . . 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 1.45 -0.379 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -60.07 96.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 p -99.81 117.64 34.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.69 77.79 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -111.65 150.61 29.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.39 . . . . 0.0 110.822 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -73.94 -44.51 54.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.53 132.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -156.56 169.24 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -141.51 140.01 19.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 110.92 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -9.9 27.24 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.248 . . . . 0.0 112.337 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.7 p -58.04 118.72 5.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.503 ' ND2' ' H ' ' A' ' 13' ' ' ASN . 7.7 t-20 -121.8 159.76 26.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.503 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 16.5 t-20 -72.38 108.12 5.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -57.01 -179.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.49 -31.3 4.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -125.13 150.29 47.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.8 t -38.83 146.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.408 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 8.6 m -98.55 26.25 5.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.99 -49.12 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.83 -16.76 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 t 74.74 36.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.8 110.01 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.6 m -59.12 150.62 24.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.56 ' CE1' ' HD2' ' A' ' 30' ' ' ARG . 1.0 OUTLIER -106.3 134.76 48.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 t -129.94 -67.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.31 -69.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.96 -67.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -60.69 128.44 36.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -112.67 129.61 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 24' ' ' PHE . 16.3 ttt-85 -67.64 101.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -85.96 -176.44 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -137.71 123.23 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.4 t -60.97 165.08 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -104.43 -26.89 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -91.0 -75.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.474 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 14.3 p -68.3 -30.93 70.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.54 39.93 48.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 40.8 m-20 -105.07 177.67 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -92.12 131.54 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 93.8 m-85 -145.63 166.74 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.03 -176.16 6.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -84.19 11.35 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -119.19 -27.48 5.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.5 m -89.83 -35.7 15.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.6 t -95.66 43.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -116.71 36.98 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.33 128.38 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 25.1 mtpp -86.39 154.99 20.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.458 HG22 ' CG1' ' A' ' 68' ' ' VAL . 33.1 m -158.55 152.2 19.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.683 0.754 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -70.27 -17.08 63.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 t -85.76 34.0 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -132.29 -52.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -92.65 140.71 29.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.13 -176.01 52.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.32 37.01 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 t -44.59 158.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.415 ' CB ' ' HD2' ' A' ' 59' ' ' PRO . . . -67.88 166.63 21.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 111.087 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 58' ' ' ALA . 54.3 Cg_endo -69.77 -1.09 7.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.622 2.215 . . . . 0.0 112.384 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -84.43 -42.43 15.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.26 76.03 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.99 -55.31 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -93.48 39.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -98.64 153.12 18.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.7 p -131.29 124.8 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.131 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.17 150.66 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -87.98 135.41 33.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.458 ' CG1' HG22 ' A' ' 49' ' ' VAL . 32.7 m -132.22 -179.12 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 19.8 p -93.36 142.32 27.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -35.04 -52.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -46.21 -46.56 17.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' THR . 97.3 m -75.25 -61.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -37.89 -38.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -67.64 -44.06 78.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' CYS . 95.4 m -71.13 -48.85 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.57 -48.06 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.9 p -88.07 54.06 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -134.22 149.3 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.4 m -89.74 108.9 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.74 -95.05 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.23 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.1 t -83.52 -55.16 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -126.12 136.28 52.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.484 -179.97 . . . . . . . . 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 1.45 -0.38 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -107.01 100.96 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.367 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 m -70.68 -62.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.75 84.13 0.12 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -162.08 120.95 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 p -99.1 166.34 11.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.62 108.46 0.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.453 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -147.17 163.85 35.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.364 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.85 138.95 37.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.717 0.77 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 11' ' ' THR . 53.8 Cg_endo -69.8 5.71 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.279 . . . . 0.0 112.293 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 10' ' ' PRO . 10.3 t -33.35 143.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.75 150.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -57.41 135.97 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -121.26 102.93 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.84 -32.23 33.51 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -122.77 154.41 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.0 t -44.3 152.09 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.565 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 3.2 m -96.55 27.55 3.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.25 -57.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 p -107.82 -0.6 21.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.9 m 62.68 29.13 16.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.87 107.0 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 m -62.13 147.22 48.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.579 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 1.9 m-85 -104.42 113.55 27.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.0 m -114.28 -76.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.4 m -132.72 -30.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mp -84.13 -66.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 132.1 46.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -103.23 137.62 41.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.579 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 5.1 tpp85 -65.1 91.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.449 ' CD ' ' HA ' ' A' ' 42' ' ' SER . 31.8 mtt85 -87.24 146.61 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 m -111.12 136.01 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.0 t -69.28 164.63 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 t -101.39 -31.93 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -85.45 -75.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.4 p -66.24 -35.41 80.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.26 37.22 25.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 8.0 m-20 -108.04 177.41 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 8.8 m -84.87 145.12 27.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 89.2 m-85 -158.73 168.34 27.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.4 p -88.07 -176.9 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.449 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 23.0 t -82.46 4.52 23.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -110.47 -26.92 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 77.2 m -93.94 -37.13 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.42 42.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -121.95 37.68 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.406 ' CD1' ' CG ' ' A' ' 73' ' ' ASN . 72.8 m-85 -113.58 111.32 21.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -76.85 126.3 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.468 ' CG2' HG13 ' A' ' 68' ' ' VAL . 27.4 m -150.94 151.42 29.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.711 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.37 14.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -78.79 -37.53 40.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -58.37 -44.44 88.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -48.14 -52.1 22.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.5 mtm -49.33 -42.48 41.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 56' ' ' ALA . . . 171.72 89.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 55' ' ' GLY . . . -34.14 111.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t -133.25 37.96 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -174.65 144.97 0.92 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -9.61 26.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.264 . . . . 0.0 112.341 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -111.66 -47.54 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.89 97.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -132.78 -53.83 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -127.46 38.89 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.13 174.95 9.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.6 p -134.71 123.51 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.8 m -120.48 163.46 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -97.86 129.65 44.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.468 HG13 ' CG2' ' A' ' 49' ' ' VAL . 15.6 m -125.49 168.1 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.4 p -85.87 140.53 30.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.57 -56.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.4 t -41.99 -44.12 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 69' ' ' CYS . 92.6 m -79.32 -56.34 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.406 ' CG ' ' CD1' ' A' ' 47' ' ' PHE . 13.6 t30 -38.76 -40.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.59 -44.94 76.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' CYS . 70.9 m -65.68 -47.35 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.23 -56.55 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.1 p -62.88 -35.63 80.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -50.87 127.03 17.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.9 p -41.09 104.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.33 169.53 34.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.439 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 167.65 23.81 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.384 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -101.24 92.72 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 t -173.52 108.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.474 179.985 . . . . . . . . 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 -0.357 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -130.32 156.23 45.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.893 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -148.82 169.07 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.5 50.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -58.02 121.3 10.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 t -125.07 167.58 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.24 154.0 9.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -155.75 139.16 15.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -37.91 106.68 0.37 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.22 8.1 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.3 p -91.78 145.14 24.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -105.71 -58.88 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -107.45 100.94 10.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 33.5 p90 -124.46 95.8 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.495 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . -115.76 49.38 0.86 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.436 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -143.08 173.77 11.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 t -62.28 159.45 15.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.556 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 23.7 m -100.0 4.65 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.54 -58.24 0.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -103.17 12.83 35.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.5 m 42.86 32.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.88 100.18 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 m -51.32 148.7 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.556 ' CE1' ' HD2' ' A' ' 30' ' ' ARG . 6.1 m-85 -97.82 43.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -98.84 -50.11 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 27' ' ' LEU . 64.0 t -64.77 76.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER 32.94 41.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -111.15 112.09 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HG3' ' CZ ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -60.84 132.89 55.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HD2' ' CE1' ' A' ' 24' ' ' PHE . 25.8 ttt-85 -92.99 124.57 37.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CZ ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -96.98 175.83 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.4 p -141.93 121.33 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.2 t -54.23 160.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -103.37 -26.62 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -87.39 -72.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.504 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 20.6 p -68.44 -40.6 81.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.63 35.76 9.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.504 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 3.2 m-20 -107.2 169.19 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.1 p -80.67 143.33 33.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 74.8 m-85 -155.1 159.4 40.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.9 p -82.02 -175.51 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.1 t -81.86 0.98 37.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -107.23 -24.12 12.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 96.8 m -99.54 -31.03 11.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.0 t -95.49 41.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -121.34 43.15 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.23 117.49 23.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' C ' HG13 ' A' ' 49' ' ' VAL . 24.6 mtpp -88.55 128.46 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.409 HG13 ' C ' ' A' ' 48' ' ' LYS . 19.7 m -144.39 151.24 50.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 133.37 25.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HE3' ' CG ' ' A' ' 64' ' ' GLU . 14.8 ptpt -87.36 40.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 t -117.76 -52.04 2.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' MET . 3.5 t -56.29 -41.37 75.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -34.68 -68.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' ALA . . . -179.61 -143.14 5.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' GLY . . . -36.98 99.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 t -122.35 140.36 52.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 59' ' ' PRO . . . -82.24 168.41 23.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.713 . . . . 0.0 111.069 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 58' ' ' ALA . 53.9 Cg_endo -69.7 -6.15 17.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -97.83 -50.25 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.77 -24.29 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -49.85 145.43 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 60.53 39.9 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' CG ' ' HE3' ' A' ' 51' ' ' LYS . 17.3 tp10 -118.31 156.86 28.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.1 p -127.3 120.74 29.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 m -119.91 166.94 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -100.62 129.87 46.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.9 m -129.29 179.2 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 16.4 p -97.03 141.98 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.71 -58.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -41.22 -42.8 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 75' ' ' THR . 91.5 m -80.75 -63.78 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 72' ' ' CYS . 10.6 t30 -34.21 -35.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' CYS . 34.4 mt-30 -73.5 -47.63 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' CYS . 92.2 m -65.33 -41.95 93.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.67 -48.7 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' LYS . 32.0 t -59.1 -45.03 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' SER . 21.0 mmtm -34.61 112.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 p -76.89 172.57 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.794 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.71 168.44 13.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.56 21.25 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.3 t -117.22 137.12 52.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 t -46.2 140.9 3.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.474 -179.998 . . . . . . . . 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 -0.313 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p -103.14 144.22 31.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 p -104.87 162.78 13.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.3 107.91 1.63 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 t -122.49 103.21 8.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -54.52 143.23 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.09 75.66 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -172.08 144.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -133.42 155.82 80.34 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.694 0.759 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 161.6 45.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 m -156.35 136.08 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -152.48 140.67 20.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.81 143.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -125.82 101.15 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . -153.38 43.54 0.62 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 15' ' ' GLY . 1.3 m120 -139.92 162.37 35.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.0 t -53.3 147.72 9.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 24.8 m -96.63 21.15 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.68 -48.01 0.13 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.5 p -114.56 -6.14 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 m 59.21 46.38 13.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.77 103.3 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 m -43.19 145.81 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE1' ' HD2' ' A' ' 30' ' ' ARG . 20.2 m-85 -90.51 84.16 5.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 p -69.08 171.05 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.447 HG21 ' CD2' ' A' ' 27' ' ' LEU . 25.9 m -47.23 -35.9 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' CD2' HG21 ' A' ' 26' ' ' VAL . 4.3 mm? -86.67 34.29 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -154.32 161.59 41.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 120.86 29.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.572 ' HD2' ' CE1' ' A' ' 24' ' ' PHE . 10.5 ttt-85 -74.52 92.3 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -72.76 165.94 23.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 m -126.1 124.91 41.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.8 t -54.02 165.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -102.91 -30.62 10.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -87.38 -75.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.3 p -65.09 -36.05 83.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.88 37.48 22.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -105.27 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.3 p -92.8 142.78 26.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 70.6 m-85 -157.48 162.15 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -83.53 -179.35 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -82.88 19.84 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -127.67 -28.74 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.8 m -90.7 -37.47 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.6 t -90.51 41.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.0 41.22 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.419 ' HB3' ' CG ' ' A' ' 73' ' ' ASN . 93.1 m-85 -117.61 115.24 24.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' C ' HG12 ' A' ' 49' ' ' VAL . 22.9 mtpp -79.89 132.3 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.403 HG12 ' C ' ' A' ' 48' ' ' LYS . 22.8 m -148.77 151.84 36.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 127.04 14.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.303 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HD2' ' CG1' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -92.16 40.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 t -114.13 -47.07 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.5 m -102.21 77.72 1.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 32.5 mtt -130.82 -58.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.24 -66.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.74 112.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -153.57 144.65 22.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.14 165.05 0.24 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 0.55 5.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.61 -53.43 28.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.63 88.78 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -115.14 -66.66 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -82.64 -30.09 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' CG ' ' HD3' ' A' ' 51' ' ' LYS . 10.9 tt0 -36.87 145.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.3 p -127.36 133.34 50.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.484 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 19.2 m -118.82 160.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -102.53 117.6 35.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.1 m -112.48 -178.93 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.599 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 24.1 p -93.85 152.16 19.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.92 -47.63 5.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -51.15 -44.55 61.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' THR . 92.5 m -79.01 -62.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' CYS . 12.7 t30 -36.41 -41.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -67.07 -44.82 79.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' CYS . 88.2 m -66.01 -45.1 82.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.0 mt -60.31 -49.37 77.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.5 t -50.7 -40.43 54.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 44.04 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 m -90.32 86.47 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' HA3' ' HD2' ' A' ' 81' ' ' PRO . . . -86.77 -138.62 5.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.415 ' HD2' ' HA3' ' A' ' 80' ' ' GLY . 53.7 Cg_endo -69.73 -47.17 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.6 m -66.42 91.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.4 p -121.92 -51.81 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.452 179.993 . . . . . . . . 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 -0.346 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -83.17 109.26 17.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -149.6 176.4 10.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.82 166.09 30.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -152.29 145.57 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -85.27 -59.79 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.43 59.64 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -64.45 115.02 4.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.489 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 3.3 t80 -165.49 139.51 3.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.625 0.726 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 9' ' ' TYR . 53.4 Cg_endo -69.79 103.76 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.9 m -98.02 136.61 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' ASN . 4.2 t-20 -174.36 149.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 3.3 t30 -37.52 145.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -114.99 176.32 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.38 37.63 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.442 ' ND2' ' HG1' ' A' ' 23' ' ' THR . 0.8 OUTLIER -138.44 167.7 21.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.94 143.47 56.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.403 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.4 m -92.98 18.46 9.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.04 -48.82 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 p -110.77 -17.7 13.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.0 t 71.85 42.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.06 108.12 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.442 ' HG1' ' ND2' ' A' ' 16' ' ' ASN . 8.4 m -54.85 145.86 18.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.127 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.574 ' CE1' ' HD3' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -100.67 123.87 45.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -116.21 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -125.47 -13.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.163 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 mt -123.78 -179.44 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 29' ' ' LYS . 59.5 mttt 55.65 48.78 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 28' ' ' LYS . 2.9 mmmm -34.13 119.47 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 4.3 tpp85 -39.94 97.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -94.72 149.26 21.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m -113.39 129.51 56.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.2 t -61.52 165.14 5.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -102.09 -31.27 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -87.48 -74.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.1 p -65.07 -34.06 77.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.97 38.04 31.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 33.1 m-20 -108.59 -179.19 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 19.6 m -90.57 144.43 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 90.4 m-85 -158.26 163.3 37.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.89 178.22 7.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.5 p -76.78 4.13 10.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -107.23 -30.43 8.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.0 m -90.98 -36.99 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 44.7 t -88.56 45.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -122.46 42.94 3.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 88.4 m-85 -124.08 119.26 28.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -90.71 118.49 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.15 150.73 68.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 111.146 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 130.33 19.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HE3' ' CG ' ' A' ' 64' ' ' GLU . 14.8 ptpt -86.95 -29.67 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.2 p -58.96 -33.92 71.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.4 t -96.43 50.83 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.413 ' CE ' ' HA ' ' A' ' 51' ' ' LYS . 50.0 mtt -116.09 34.78 4.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.1 -77.33 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.18 121.15 20.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.0 p -148.66 145.71 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.48 157.31 0.37 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 111.085 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.16 17.92 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -78.86 -56.47 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.63 117.92 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 63' ' ' ARG . 46.1 mt-30 -143.01 138.29 29.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.2 OUTLIER 35.14 38.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.441 ' CG ' ' HE3' ' A' ' 51' ' ' LYS . 16.9 tp10 -94.56 131.97 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.6 p -95.08 124.56 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.7 m -121.59 163.48 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -98.15 121.42 40.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.6 m -120.44 178.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.2 p -96.22 142.03 28.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.58 -53.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.0 t -44.39 -45.28 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' CYS . 92.9 m -79.75 -56.43 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.528 ' ND2' ' CD2' ' A' ' 47' ' ' PHE . 13.0 t30 -41.39 -38.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.78 -41.31 78.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 72' ' ' CYS . 85.3 m -69.09 -45.53 70.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.0 mt -58.37 -57.79 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -41.26 -57.04 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -57.51 168.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 t -69.32 88.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -38.67 103.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 82' ' ' SER . 53.5 Cg_endo -69.78 136.31 32.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 81' ' ' PRO . 48.4 m -36.35 -61.58 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 99.0 p -82.92 162.23 21.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.475 -179.972 . . . . . . . . 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 1.452 -0.256 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 t -168.79 116.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -158.85 114.16 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.74 162.81 32.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -69.73 147.59 50.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -150.1 117.65 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.7 124.89 1.08 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.447 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -55.62 -62.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -151.39 126.29 4.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.679 0.752 . . . . 0.0 110.973 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 96.41 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 m -69.27 121.54 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -124.74 156.54 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -64.99 129.32 39.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -77.26 170.59 16.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.87 -34.19 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.546 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.29 178.08 7.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.378 . . . . 0.0 110.859 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.56 144.84 56.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -93.04 18.88 8.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.84 -49.17 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.542 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.24 1.1 14.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m 49.21 51.71 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.49 104.24 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 m -38.7 148.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CD2' ' HD2' ' A' ' 30' ' ' ARG . 55.9 m-85 -92.0 151.57 20.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -147.32 -178.95 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.3 t -42.5 -49.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -71.8 -56.54 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -81.21 95.98 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -79.39 133.02 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.565 ' HD2' ' CD2' ' A' ' 24' ' ' PHE . 17.7 ttt-85 -65.99 99.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -88.22 147.81 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 p -108.82 129.41 55.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.3 t -61.83 165.02 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -106.14 -29.28 9.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -86.66 -73.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.6 p -68.02 -36.6 80.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.26 38.57 14.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.419 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 22.0 m-20 -111.88 176.75 4.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -86.37 144.41 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.593 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 83.8 m-85 -158.02 159.22 36.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 p -82.32 179.28 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 p -77.2 0.71 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.501 ' NE ' ' O ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -104.29 -31.02 9.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 94.0 m -91.7 -33.42 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -96.29 40.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -113.14 29.02 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.14 122.08 42.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' CG ' ' CE1' ' A' ' 67' ' ' PHE . 23.3 mtmt -93.75 134.55 35.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.407 HG23 ' CD1' ' A' ' 76' ' ' LEU . 34.5 m -141.7 151.99 61.64 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.597 0.713 . . . . 0.0 111.126 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 131.54 21.36 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' CG ' ' HB3' ' A' ' 64' ' ' GLU . 9.0 ptpt -86.42 33.48 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 t -114.61 -42.61 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 p -65.97 -32.68 74.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -59.78 110.72 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 39.77 -135.23 1.83 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.51 163.5 27.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -144.14 143.15 30.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.96 165.45 49.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.693 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.98 3.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.395 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -118.3 -53.79 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.93 85.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -127.64 -50.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.1 mmt-85 -102.57 33.97 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 51' ' ' LYS . 2.3 tp10 -102.68 144.71 30.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.2 p -113.55 146.91 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.39 162.17 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.449 ' CE1' ' CG ' ' A' ' 48' ' ' LYS . 92.2 m-85 -99.53 126.23 45.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.7 m -124.94 175.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 15.4 p -95.51 146.04 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' HB1' ' NE2' ' A' ' 74' ' ' GLN . . . -39.0 -58.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m -40.29 -38.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 75' ' ' THR . 97.1 m -84.26 -63.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 t30 -37.06 -39.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.424 ' NE2' ' HB1' ' A' ' 70' ' ' ALA . 2.3 mp0 -64.32 -43.97 93.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.2 m -70.12 -48.55 57.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.407 ' CD1' HG23 ' A' ' 49' ' ' VAL . 76.3 mt -52.98 -57.97 8.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.8 m -89.91 40.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -92.11 -61.04 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.9 m 39.07 38.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.57 -132.55 4.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.62 56.31 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.301 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.3 t 55.7 40.9 30.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.0 p -106.89 92.99 4.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.468 179.999 . . . . . . . . 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 -0.339 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -151.19 135.93 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -144.43 133.95 23.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.16 163.95 24.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -157.32 158.21 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.841 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -164.53 159.09 18.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.37 105.27 0.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -138.54 145.0 40.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -98.39 136.18 20.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.674 0.75 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 83.32 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.375 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.6 p -112.58 85.58 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -132.61 -43.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -86.38 113.68 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -129.0 171.11 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -131.82 43.51 1.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -136.27 175.21 9.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.5 t -76.12 146.36 39.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.458 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.3 m -97.32 24.3 6.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.35 -40.18 0.19 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -123.6 -2.97 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m 56.6 46.76 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -111.85 105.84 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 m -52.74 139.69 25.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.49 103.12 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -111.0 -70.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.6 -31.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.61 -49.81 61.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -126.24 167.54 15.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -122.79 148.56 45.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -58.45 87.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -82.08 173.55 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 m -135.76 127.06 28.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.47 163.89 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -100.92 -32.05 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -86.54 -75.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.451 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.8 p -66.91 -31.67 72.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.03 37.62 56.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.553 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 16.4 m-20 -104.05 177.81 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 p -87.42 139.49 30.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 95.8 m-85 -154.48 166.82 32.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -83.88 -175.4 5.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 p -85.82 12.31 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -120.79 -24.99 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -91.99 -38.03 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -92.75 44.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -122.94 46.3 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -125.87 121.98 34.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' CG ' ' CE1' ' A' ' 67' ' ' PHE . 56.0 mtpt -86.58 121.96 29.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.423 ' CG2' HG22 ' A' ' 68' ' ' VAL . 32.8 m -138.39 151.43 69.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 124.02 10.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.469 ' CD ' ' HB3' ' A' ' 64' ' ' GLU . 1.7 ptmm? -79.27 -48.39 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 51' ' ' LYS . 77.9 p -40.65 -28.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.5 p -99.29 52.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.2 mtt -106.65 -53.29 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.16 -36.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.03 102.14 12.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.1 p -76.41 121.26 22.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.57 157.09 75.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 0.07 6.2 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.657 2.238 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -96.97 -45.99 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.44 107.97 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -135.51 105.17 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 45.91 36.1 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.469 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 5.0 tp10 -78.85 172.89 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 62.5 p -128.67 130.93 47.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.78 158.56 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.424 ' CE1' ' CG ' ' A' ' 48' ' ' LYS . 66.9 m-85 -98.54 123.77 42.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.423 HG22 ' CG2' ' A' ' 49' ' ' VAL . 27.1 m -124.13 178.95 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.3 p -92.5 151.1 20.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.15 -48.8 9.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.3 m -48.71 -42.08 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.892 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 75' ' ' THR . 68.2 m -81.82 -64.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' OD1' ' CG1' ' A' ' 49' ' ' VAL . 6.2 t30 -37.5 -38.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.37 -43.44 77.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.2 m -69.29 -38.86 78.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.36 -56.58 15.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.7 m -105.56 46.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 79' ' ' SER . 11.4 pttm -68.01 -44.18 77.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 43.2 m -155.3 147.64 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.49 146.43 37.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -30.66 22.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.4 m 53.61 44.75 29.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 m -47.13 -45.09 22.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.1 -0.834 . . . . 0.0 112.462 -179.973 . . . . . . . . 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 -0.335 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 p -107.66 146.57 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.378 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -133.93 99.93 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.94 141.93 7.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -134.54 157.66 45.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -140.54 148.42 40.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.27 107.41 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 mmm-85 -134.69 147.52 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' C ' ' H ' ' A' ' 11' ' ' THR . 31.5 m-85 -108.53 102.31 46.77 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 11' ' ' THR . 53.8 Cg_endo -69.76 6.72 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.341 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 10' ' ' PRO . 15.1 t -30.83 124.33 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.32 -44.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -174.82 136.28 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -116.5 132.52 56.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . -140.4 37.18 1.72 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.437 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 15' ' ' GLY . 1.2 m120 -138.96 163.61 31.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.91 151.45 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.487 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 21.9 m -96.7 19.87 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.183 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.1 -53.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.7 p -109.31 2.29 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.4 m 49.44 47.96 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.74 103.06 12.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 m -41.07 148.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 50.4 m-85 -92.48 102.46 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' LYS . 51.7 p -91.57 163.97 13.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 p -42.92 -25.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mp -91.44 28.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' SER . 31.9 ttmt -161.51 149.57 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.32 129.37 54.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 4.6 ttp180 -68.01 111.96 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -88.78 176.21 7.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.7 m -134.43 119.6 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.1 t -57.01 164.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -102.75 -29.81 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -87.61 -75.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.495 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.78 -33.89 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.68 37.51 30.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.495 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 15.9 m-20 -107.05 173.6 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 m -86.94 135.64 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.592 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 95.0 m-85 -146.1 162.45 37.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 p -77.0 -175.0 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.5 m -84.33 0.42 49.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 43' ' ' ARG . 12.4 mtp-105 -109.22 -20.61 12.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.3 m -97.06 -34.62 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 47.2 t -94.42 40.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -119.51 30.52 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 87.2 m-85 -111.56 112.62 24.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -78.96 132.95 36.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -148.56 148.54 28.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 121.35 8.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.383 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -73.37 2.06 8.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.7 t -104.18 -30.59 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 m -109.35 32.17 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 ptp -113.04 18.18 18.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.4 -62.25 0.57 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.57 171.32 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.0 p -138.67 152.48 48.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.63 151.69 21.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 111.106 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.22 9.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.305 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -115.79 -50.69 2.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.98 62.02 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -131.93 156.4 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? 55.3 26.51 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -118.22 140.86 49.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -108.96 117.38 34.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 m -106.82 167.1 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.171 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -101.56 124.5 47.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.54 171.95 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.592 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.9 p -89.63 141.57 28.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -36.5 -57.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 t -41.26 -41.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 75' ' ' THR . 91.2 m -80.62 -64.26 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' CYS . 3.8 t30 -34.73 -39.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -67.1 -48.19 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 72' ' ' CYS . 19.9 m -70.05 -53.38 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.1 mt -43.61 -53.41 5.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.5 p -103.68 72.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -131.31 151.63 51.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.7 t -59.4 120.04 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -48.49 140.23 10.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 158.95 55.21 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.8 m -74.82 113.16 11.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.7 t -50.12 -54.67 19.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.478 -179.96 . . . . . . . . 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 1.451 -0.349 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 m -156.15 149.56 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -54.56 171.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.35 93.08 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 p -95.21 113.64 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 t -130.08 135.44 48.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.72 -167.92 28.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.18 144.24 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 110.925 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -108.5 152.02 41.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.721 0.772 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 156.41 63.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 12' ' ' ASN . 8.9 t -46.4 -43.54 16.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.433 ' N ' HG22 ' A' ' 11' ' ' THR . 20.9 p-10 -127.48 -54.49 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -174.23 -177.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -89.97 174.09 7.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.49 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . 70.03 36.19 72.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 15' ' ' GLY . 1.2 m120 -139.8 158.2 44.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 t -52.39 148.8 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.563 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.8 m -96.67 21.79 8.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.201 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.43 -55.09 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.5 p -105.43 -1.76 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.346 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m 55.29 47.02 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.35 106.24 15.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 m -45.34 148.78 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 62.4 m-85 -91.48 90.13 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -133.22 -54.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' LEU . 1.6 p -65.56 81.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' VAL . 23.2 mt 36.81 44.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -113.76 105.18 12.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -80.67 117.52 21.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 6.0 ttp180 -51.01 109.02 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.7 mtt85 -87.25 164.4 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 p -124.19 125.42 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.6 t -62.5 164.76 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -101.79 -30.33 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -87.92 -75.42 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 15.7 p -66.51 -32.72 74.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.78 37.97 37.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.529 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 10.0 m-20 -107.12 173.93 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.9 m -87.94 137.58 32.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.563 ' CE1' ' HB ' ' A' ' 18' ' ' THR . 92.4 m-85 -150.44 166.89 28.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.4 p -82.54 -176.76 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -83.21 9.84 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -115.0 -30.28 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.8 m -86.99 -39.37 15.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 t -90.43 42.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -117.32 39.06 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -119.9 125.22 47.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -92.57 116.92 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.423 ' CG2' HG13 ' A' ' 68' ' ' VAL . 22.0 m -133.45 149.34 72.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.02 11.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.301 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HE2' ' CG1' ' A' ' 66' ' ' VAL . 14.8 ptpt -73.98 -35.76 64.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -48.9 -51.75 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 m -45.48 -43.6 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 61.4 mtm -68.54 95.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.91 136.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.67 157.88 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -167.21 171.22 11.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.24 164.44 0.27 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.93 4.94 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -73.83 -50.38 20.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.0 81.36 3.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -120.18 -50.0 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -111.31 44.59 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -104.08 159.07 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.5 p -132.58 122.73 25.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.424 ' CG1' ' HE2' ' A' ' 51' ' ' LYS . 29.0 m -113.81 170.08 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.51 131.02 46.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.423 HG13 ' CG2' ' A' ' 49' ' ' VAL . 32.7 m -132.9 166.31 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.556 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 17.3 p -86.14 143.32 28.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.74 -54.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 t -42.23 -40.49 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' THR . 75.6 m -82.97 -61.05 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' CYS . 1.7 t30 -35.92 -37.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -72.5 -44.2 62.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' CYS . 91.6 m -66.57 -44.38 82.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.51 -53.45 57.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -61.68 -43.89 98.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -52.28 -46.44 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.8 t 68.88 42.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.4 90.25 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.52 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.6 p -51.67 -50.45 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -132.8 154.88 49.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.477 -179.981 . . . . . . . . 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 1.45 -0.39 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -49.41 -46.03 47.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.816 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -55.4 134.84 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.14 131.75 5.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -170.0 127.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.3 p -145.13 113.57 6.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.32 149.41 22.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -74.86 162.13 28.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -136.89 141.41 34.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.698 0.761 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -170.35 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.0 m -82.8 72.81 9.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -53.31 -41.78 65.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -69.3 137.55 53.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -142.02 175.8 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 147.65 -37.27 1.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.08 167.4 14.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.7 t -41.22 160.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 2.9 m -103.67 12.83 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.16 -38.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' SER . 24.9 p -123.59 13.19 9.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' CYS . 37.9 m 37.13 50.51 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.07 110.01 22.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 m -60.45 137.84 58.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -103.36 108.64 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.9 m -109.47 -75.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 m -130.84 -32.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.93 -62.5 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 139.5 34.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -113.11 122.78 48.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -59.4 94.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -79.25 177.63 8.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 m -131.02 129.47 42.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 39.9 t -66.64 164.7 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 m -105.24 -27.91 11.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -87.95 -75.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.504 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 15.5 p -67.66 -37.52 82.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.38 38.66 12.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 13.1 m-20 -107.81 177.57 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -85.52 137.06 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.574 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 87.9 m-85 -153.16 166.77 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.58 -178.17 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.3 t -80.36 2.43 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -107.49 -27.97 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.4 m -95.25 -34.09 12.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.24 35.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 p -111.36 34.9 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -112.61 117.03 31.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 8.0 mtpm? -85.55 127.2 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.473 HG23 ' CG1' ' A' ' 68' ' ' VAL . 30.8 m -142.92 152.54 59.06 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.572 0.701 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 130.14 18.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.625 2.217 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 52' ' ' SER . 4.1 ptmt -84.77 -40.75 16.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' LYS . 41.4 t -34.53 -66.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.2 t -69.22 -35.89 76.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.452 ' HE1' ' CG2' ' A' ' 66' ' ' VAL . 25.4 ttp -90.3 83.48 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.21 -128.79 6.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.53 154.54 20.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.3 p -86.22 161.52 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 59' ' ' PRO . . . -168.77 169.1 4.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.582 0.706 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 58' ' ' ALA . 53.6 Cg_endo -69.81 -21.3 33.46 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -110.3 -26.58 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.88 -37.06 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -39.81 -52.06 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -116.42 58.31 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 4.5 tp10 -119.01 163.99 16.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.5 p -141.5 124.8 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.452 ' CG2' ' HE1' ' A' ' 54' ' ' MET . 24.6 m -120.39 161.72 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.523 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 8.7 m-85 -98.58 134.28 41.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.473 ' CG1' HG23 ' A' ' 49' ' ' VAL . 19.0 m -129.45 171.08 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.574 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 16.9 p -90.73 146.53 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.95 -61.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -39.72 -35.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' THR . 88.1 m -86.91 -59.61 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -41.05 -38.95 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -66.91 -40.38 87.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' CYS . 85.3 m -72.34 -43.1 64.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.1 mt -61.22 -49.56 76.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.3 t -86.48 44.63 1.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -101.8 -48.96 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.3 t -58.99 126.24 26.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.33 -141.11 4.86 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 82' ' ' SER . 54.1 Cg_endo -69.69 2.8 3.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' PRO . 84.2 p -34.14 -45.97 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.7 m 65.27 45.05 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.526 179.959 . . . . . . . . 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 -0.341 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -131.54 113.74 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.374 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -91.75 168.17 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.61 -168.21 0.59 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -146.62 110.18 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.883 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -60.27 123.33 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.17 -149.54 21.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 40.35 54.87 2.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -136.47 153.05 75.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.688 0.756 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 116.67 4.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 m -102.81 128.25 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -47.01 148.68 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -73.6 -51.13 17.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -157.36 171.75 19.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.19 -21.84 23.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.35 167.0 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.5 t -40.47 161.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.544 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 45.6 m -95.29 -9.09 34.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.08 -64.22 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.49 -8.11 39.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m 55.71 46.58 22.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' THR . . . -94.73 103.45 15.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ALA . 3.1 m -37.04 147.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 65.2 m-85 -99.21 59.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 p -114.55 -47.35 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' LEU . 7.3 p -63.16 79.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' VAL . 1.6 mp 35.48 49.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' NZ ' ' HB1' ' A' ' 22' ' ' ALA . 25.1 ttmt -129.51 111.43 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -80.91 116.23 20.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 7.1 ttp180 -48.26 105.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -78.2 161.12 27.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -123.44 125.11 44.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 38.8 t -58.27 164.29 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -100.66 -32.63 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -85.43 -75.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.5 p -65.44 -35.54 81.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.25 37.4 28.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -108.3 174.85 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 m -82.21 141.59 32.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 66.7 m-85 -155.81 164.19 38.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 p -86.93 177.31 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -78.79 11.3 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -117.45 -29.22 5.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.9 m -91.44 -35.9 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 8.7 t -95.49 37.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 p -110.89 36.5 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -118.51 117.48 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 26.5 mtpp -88.17 119.9 29.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.465 ' CG2' HG11 ' A' ' 68' ' ' VAL . 19.6 m -131.29 151.41 78.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 133.04 24.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -83.09 39.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -129.52 26.88 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 p -122.67 -40.29 2.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.5 mtt -50.47 -41.36 52.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.49 44.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.58 41.94 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.6 p -41.91 109.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.83 147.14 40.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 2.69 3.26 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.03 -36.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.05 43.58 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -125.61 -38.01 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -79.44 -30.63 42.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.22 159.02 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -131.73 130.7 42.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 m -116.97 150.39 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.526 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 42.4 m-85 -93.82 128.41 40.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.465 HG11 ' CG2' ' A' ' 49' ' ' VAL . 19.6 m -128.32 175.95 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.576 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.5 p -90.45 147.89 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.25 -54.42 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -43.78 -43.42 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 75' ' ' THR . 90.2 m -80.43 -63.01 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.9 t30 -36.5 -41.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -64.8 -44.44 89.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' CYS . 80.2 m -69.66 -49.12 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.4 mt -58.73 -54.16 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.9 t -81.18 43.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -146.75 113.89 6.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -91.18 49.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -135.87 -158.99 8.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 99.32 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -74.99 137.92 41.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 p -102.4 158.92 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.481 179.984 . . . . . . . . 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 ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.7 t -61.97 150.99 36.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.71 ' O ' HG22 ' A' ' 18' ' ' THR . 49.6 m -97.46 20.66 11.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.61 -51.87 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.63 2.63 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 m 49.46 44.74 24.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.23 102.86 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 -179.91 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -80.31 174.57 11.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -134.99 124.62 25.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.8 t -60.96 164.01 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -104.07 -30.83 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -85.69 -74.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.425 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.8 -36.5 82.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.59 37.56 19.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.486 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 7.8 m-20 -108.71 172.37 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -85.92 142.73 28.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 92.3 m-85 -153.83 163.59 39.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.3 p -79.86 -175.21 4.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 t -84.72 11.1 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -118.21 -26.6 6.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.1 m -91.23 -36.22 14.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.4 t -91.8 36.22 0.96 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -111.5 39.66 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 86.1 m-85 -119.89 123.51 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -92.71 127.51 38.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.646 ' O ' HG22 ' A' ' 66' ' ' VAL . 33.9 m -146.28 148.45 34.72 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.581 0.705 . . . . 0.0 111.159 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.66 54.82 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HE2' HG11 ' A' ' 66' ' ' VAL . 17.2 ptpt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 49' ' ' VAL . 35.3 m -109.73 162.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -98.77 132.75 43.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' A' ' 73' ' ' ASN . 35.9 m -135.13 168.65 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 17.2 p -87.67 141.51 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -36.08 -57.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.084 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -39.86 -42.12 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' THR . 77.3 m -82.4 -58.81 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' CYS . 4.0 t30 -37.67 -38.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -70.29 -44.83 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' CYS . 53.9 m -65.78 -41.5 91.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.7 t -48.14 149.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.571 ' O ' HG22 ' A' ' 18' ' ' THR . 10.9 m -95.46 21.85 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.9 -57.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 p -104.41 -2.66 25.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.0 m 58.56 40.41 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.54 103.68 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.794 0.33 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -84.82 152.55 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.4 m -113.16 123.55 50.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.9 t -52.73 165.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -100.38 -33.46 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -84.84 -74.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 p -66.95 -32.51 73.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.15 37.44 42.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 5.5 m120 -105.51 175.17 5.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.82 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 57.6 p -81.34 143.52 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 86.5 m-85 -159.67 163.7 34.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -79.97 -175.28 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 m -84.11 0.91 46.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.93 -20.75 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.4 m -95.91 -37.83 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.7 t -92.84 44.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -127.1 33.36 4.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -106.38 107.93 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -74.82 118.88 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.0 m -138.18 146.38 51.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.732 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.49 14.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.2 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.361 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.7 m -126.46 169.39 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -107.92 126.56 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.69 179.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.595 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.9 p -97.71 142.31 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.94 -47.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -49.64 -48.69 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 75' ' ' THR . 72.2 m -75.59 -59.42 2.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 t30 -36.11 -38.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.97 -44.38 76.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' CYS . 94.9 m -68.22 -46.78 69.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.8 t -55.54 158.56 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.454 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 2.4 m -97.81 5.64 48.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.51 -56.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.9 p -103.87 8.47 36.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.4 p 38.87 42.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.6 100.17 11.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.918 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -89.02 153.53 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -118.32 122.05 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.5 t -57.66 164.28 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -102.67 -31.47 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -85.64 -74.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.6 p -67.05 -35.24 79.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.12 37.3 29.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 4.1 m120 -106.32 174.28 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 p -85.77 136.77 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 86.7 m-85 -149.1 163.18 38.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -82.61 -175.78 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.5 m -85.53 12.91 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -120.68 -27.14 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.8 m -92.72 -31.01 15.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.3 t -100.19 36.54 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 p -108.14 32.58 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -119.28 124.43 46.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 24.6 mtmt -96.21 131.03 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 76' ' ' LEU . 31.8 m -138.04 150.26 66.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.22 8.9 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' HD2' ' CG1' ' A' ' 66' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.3 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.817 0.341 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 20.8 m -148.74 156.1 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.445 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 86.7 m-85 -93.77 130.18 39.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.5 HG23 ' HB2' ' A' ' 73' ' ' ASN . 23.4 m -132.05 173.16 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.604 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 21.1 p -91.21 145.36 24.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.65 -53.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -44.97 -39.55 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 75' ' ' THR . 93.3 m -84.21 -62.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.5 ' HB2' HG23 ' A' ' 68' ' ' VAL . 5.4 t30 -37.48 -39.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -67.83 -42.67 81.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 72' ' ' CYS . 73.2 m -70.54 -44.34 67.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 49' ' ' VAL . 43.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.3 t -39.78 158.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.58 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 26.8 m -92.41 -1.72 56.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.01 -61.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 22' ' ' ALA . 26.8 p -102.59 19.37 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.344 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' CYS . 83.8 p 36.38 30.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -65.92 100.18 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -87.4 -176.1 5.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.4 m -136.41 119.75 16.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.8 t -55.97 164.44 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -101.89 -31.82 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -85.9 -75.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.0 p -66.17 -35.9 81.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.88 37.72 25.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -106.93 176.25 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 m -84.48 137.31 33.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 71.8 m-85 -150.89 167.51 27.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -87.93 -174.96 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.8 t -85.63 12.74 8.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -120.06 -28.33 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.8 m -91.6 -37.47 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.4 t -93.64 42.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -121.77 42.18 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -118.49 117.44 29.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -81.88 116.65 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.482 ' O ' HG22 ' A' ' 66' ' ' VAL . 18.1 m -137.5 150.76 69.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.76 19.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 179.923 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.8 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.881 0.372 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 49' ' ' VAL . 33.2 m -132.02 166.72 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -101.38 123.15 44.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 m -124.04 170.87 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.604 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.6 p -88.35 143.11 27.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.802 ' HB1' HE22 ' A' ' 74' ' ' GLN . . . -38.34 -51.88 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.9 t -46.55 -42.0 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 75' ' ' THR . 98.8 m -79.04 -60.43 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.1 t30 -36.38 -40.91 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.802 HE22 ' HB1' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -65.96 -46.64 77.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.0 m -68.18 -50.95 51.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.923 0.392 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -46.3 154.55 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.585 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 4.4 m -100.79 11.0 40.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.07 -37.28 0.51 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.2 p -127.31 13.68 7.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.1 t 38.74 55.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.94 111.34 23.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 ttt-85 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -76.5 167.04 22.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 m -128.12 125.27 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.39 164.03 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 m -101.97 -31.31 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -85.98 -75.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.3 p -67.19 -33.98 76.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.24 38.03 35.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.42 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.421 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 7.6 m120 -102.5 -174.89 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 p -93.7 131.58 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 84.3 m-85 -146.54 167.38 23.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.6 p -91.86 -179.91 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 t -81.41 14.71 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -124.16 -25.22 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.4 m -94.06 -36.8 11.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.9 t -92.44 36.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -105.88 35.93 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 98.5 m-85 -112.07 118.18 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -91.61 117.42 29.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 66' ' ' VAL . 34.7 m -134.03 150.64 74.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 111.163 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 120.02 6.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.883 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 49' ' ' VAL . 34.9 m -122.15 162.78 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -100.36 112.01 24.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.4 m -112.79 175.07 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.603 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.7 p -91.84 152.56 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.591 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . . . -45.62 -47.61 14.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.5 t -50.45 -43.68 55.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 75' ' ' THR . 72.6 m -78.63 -60.52 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' CYS . 5.6 t30 -38.0 -38.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -70.36 -40.47 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 72' ' ' CYS . 88.0 m -70.46 -43.34 70.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.905 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -49.09 161.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.721 ' O ' HG22 ' A' ' 18' ' ' THR . 73.4 m -101.52 13.38 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.65 -48.96 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.91 12.68 14.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 t 44.67 30.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.95 101.61 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.782 0.325 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -92.16 160.33 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.5 m -120.73 135.03 55.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.6 t -71.14 164.74 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -104.57 -29.52 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -86.6 -74.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.471 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.5 p -66.48 -37.29 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.7 37.32 13.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.427 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.471 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 1.9 m-20 -112.57 172.9 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.1 m -81.77 147.08 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 82.5 m-85 -158.84 162.65 37.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.3 p -79.76 -175.57 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 m -83.24 -0.5 49.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -105.27 -27.53 11.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.72 -37.39 12.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 45.2 t -92.14 41.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -123.61 43.44 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -123.19 115.5 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -81.42 123.0 28.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.8 m -144.68 151.34 49.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.3 5.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.786 0.327 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.2 m -140.9 160.96 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -99.01 116.22 30.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.405 HG23 ' HB2' ' A' ' 73' ' ' ASN . 22.8 m -112.02 176.77 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.599 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.0 p -91.22 140.82 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.78 -56.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -43.1 -45.07 5.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 75' ' ' THR . 85.6 m -77.62 -63.71 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.6 t30 -35.43 -40.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -68.65 -44.69 73.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' CYS . 91.4 m -65.55 -44.46 86.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 t -52.9 160.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.64 ' O ' HG22 ' A' ' 18' ' ' THR . 33.6 m -103.71 8.18 37.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.57 -31.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' SER . 18.2 p -130.39 16.45 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' CYS . 3.8 m 33.79 54.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.67 106.83 17.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.926 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 39' ' ' SER . 6.4 ttp85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.792 0.329 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -92.93 144.8 24.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.2 p -112.09 124.51 52.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.5 t -56.14 164.88 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -104.81 -31.02 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -85.48 -73.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.3 p -65.82 -39.86 91.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.06 36.66 10.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.485 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 15.1 m-20 -109.27 174.94 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.43 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 10.8 p -84.86 142.88 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 87.9 m-85 -156.59 162.9 39.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -85.63 -177.63 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.9 p -80.7 6.06 13.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -110.83 -31.41 7.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.2 m -89.9 -35.99 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.7 t -94.62 34.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -108.25 36.18 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -123.14 127.97 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' CG ' ' CE1' ' A' ' 67' ' ' PHE . 7.0 mtpm? -97.44 136.39 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 66' ' ' VAL . 27.6 m -149.47 152.47 35.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 111.18 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 127.93 15.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.388 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.0 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.793 0.33 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 49' ' ' VAL . 22.5 m -123.47 161.29 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.637 ' CE1' ' CG ' ' A' ' 48' ' ' LYS . 84.4 m-85 -105.07 112.42 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.15 -178.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.611 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 23.5 p -97.13 143.73 27.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.41 -53.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 m -44.64 -48.09 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' THR . 83.2 m -77.18 -57.69 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' CYS . 9.9 t30 -38.03 -40.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -66.16 -44.61 83.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' CYS . 90.2 m -69.09 -48.96 61.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.9 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.9 t -62.11 153.15 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.568 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 3.3 m -99.25 27.94 4.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.172 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.25 -54.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p -107.25 -5.26 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m 61.29 39.22 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.36 118.41 35.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.899 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -99.04 161.19 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.0 m -116.04 129.26 56.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.05 164.8 9.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -99.18 -32.65 11.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -85.89 -75.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.452 ' SG ' ' CG ' ' A' ' 38' ' ' ASN . 15.4 p -68.33 -29.64 68.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.87 37.69 60.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 4.0 m120 -104.02 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.2 p -83.14 138.43 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 87.6 m-85 -153.85 162.97 40.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -79.75 -176.04 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.4 p -85.56 7.34 23.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -117.15 -21.34 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.6 m -94.43 -38.3 11.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 45.1 t -90.98 42.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -118.48 43.64 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -117.86 118.31 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -85.52 122.07 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' VAL . 31.1 m -144.62 148.43 39.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.742 . . . . 0.0 111.135 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 134.25 27.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.464 ' HE2' ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.5 p . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG1' ' HE2' ' A' ' 51' ' ' LYS . 16.9 m -126.23 165.35 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -100.89 126.94 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.5 m -125.45 175.95 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.596 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 15.0 p -97.29 146.72 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.24 -58.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.9 m -40.18 -39.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 75' ' ' THR . 85.4 m -84.06 -60.54 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -39.59 -39.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -67.08 -43.98 81.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' CYS . 66.5 m -68.15 -40.61 82.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.53 148.67 23.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.648 ' O ' HG22 ' A' ' 18' ' ' THR . 23.4 m -93.73 22.76 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.99 -49.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.5 p -116.54 -1.68 12.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m 55.21 43.24 29.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.56 102.48 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.07 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.874 0.368 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.4 mtt-85 -89.95 147.26 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m -113.47 123.36 49.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -52.32 164.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -99.31 -31.4 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -87.98 -75.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.4 p -65.88 -31.24 72.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.77 38.34 56.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.534 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 5.3 m120 -105.67 174.02 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.9 p -82.79 140.6 32.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 89.2 m-85 -155.49 161.71 40.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.4 p -81.98 179.65 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.2 p -81.41 11.33 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.7 mmt-85 -118.88 -23.96 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.6 m -95.59 -34.14 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.5 t -93.65 36.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -113.14 37.24 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.88 112.55 22.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -81.74 120.33 25.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.596 HG21 ' CD1' ' A' ' 76' ' ' LEU . 33.2 m -134.73 144.16 49.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.71 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 127.2 14.19 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.232 . . . . 0.0 112.355 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.4 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.13 169.01 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -106.2 121.06 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.401 HG13 HG22 ' A' ' 49' ' ' VAL . 13.3 m -121.0 179.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.576 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 21.7 p -96.17 148.83 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.09 -50.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 m -47.05 -50.8 18.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' THR . 74.0 m -75.15 -58.92 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' CYS . 14.2 t30 -35.54 -40.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -68.83 -44.72 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' CYS . 90.7 m -66.09 -44.56 84.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.596 ' CD1' HG21 ' A' ' 49' ' ' VAL . 73.5 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.8 t -38.83 146.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 18' ' ' THR . 8.6 m -98.55 26.25 5.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.99 -49.12 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.83 -16.76 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 t 74.74 36.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.8 110.01 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.825 0.345 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -85.96 -176.44 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -137.71 123.23 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.4 t -60.97 165.08 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -104.43 -26.89 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -91.0 -75.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.431 ' SG ' ' CG ' ' A' ' 38' ' ' ASN . 14.3 p -68.3 -30.93 70.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.54 39.93 48.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.572 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 7.2 m120 -105.07 177.67 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -92.12 131.54 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 93.8 m-85 -145.63 166.74 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.03 -176.16 6.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -84.19 11.35 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -119.19 -27.48 5.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.5 m -89.83 -35.7 15.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.6 t -95.66 43.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -116.71 36.98 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.33 128.38 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.429 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 25.1 mtpp -86.39 154.99 20.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 66' ' ' VAL . 33.1 m -158.55 152.2 19.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.683 0.754 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.802 0.334 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 49' ' ' VAL . 29.1 m -118.17 150.66 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -87.98 135.41 33.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -132.22 -179.12 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 19.8 p -93.36 142.32 27.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -35.04 -52.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -46.21 -46.56 17.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' THR . 97.3 m -75.25 -61.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -37.89 -38.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -67.64 -44.06 78.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' CYS . 95.4 m -71.13 -48.85 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.934 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.0 t -44.3 152.09 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.575 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 3.2 m -96.55 27.55 3.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.25 -57.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 p -107.82 -0.6 21.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.9 m 62.68 29.13 16.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.87 107.0 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.89 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 tpp85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.453 ' CD ' ' HA ' ' A' ' 42' ' ' SER . 31.8 mtt85 -87.24 146.61 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 m -111.12 136.01 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.0 t -69.28 164.63 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 t -101.39 -31.93 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -85.45 -75.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.4 p -66.24 -35.41 80.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.26 37.22 25.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.448 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 8.0 m-20 -108.04 177.41 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 8.8 m -84.87 145.12 27.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.593 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 89.2 m-85 -158.73 168.34 27.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.4 p -88.07 -176.9 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.453 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 23.0 t -82.46 4.52 23.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -110.47 -26.92 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 77.2 m -93.94 -37.13 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.42 42.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -121.95 37.68 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.406 ' CD1' ' CG ' ' A' ' 73' ' ' ASN . 72.8 m-85 -113.58 111.32 21.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -76.85 126.3 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 66' ' ' VAL . 27.4 m -150.94 151.42 29.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.711 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.37 14.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HE3' HG11 ' A' ' 66' ' ' VAL . 5.9 ptpp? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.825 0.345 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.438 HG11 ' HE3' ' A' ' 51' ' ' LYS . 35.8 m -120.48 163.46 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -97.86 129.65 44.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.6 m -125.49 168.1 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.4 p -85.87 140.53 30.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.57 -56.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.4 t -41.99 -44.12 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 69' ' ' CYS . 92.6 m -79.32 -56.34 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.406 ' CG ' ' CD1' ' A' ' 47' ' ' PHE . 13.6 t30 -38.76 -40.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.59 -44.94 76.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' CYS . 70.9 m -65.68 -47.35 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.463 ' OD1' HG23 ' A' ' 23' ' ' THR . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 t -62.28 159.45 15.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.564 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 23.7 m -100.0 4.65 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.54 -58.24 0.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -103.17 12.83 35.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.5 m 42.86 32.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.88 100.18 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.463 HG23 ' OD1' ' A' ' 16' ' ' ASN . 18.9 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HE ' ' CB ' ' A' ' 39' ' ' SER . 25.8 ttt-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.98 175.83 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.4 p -141.93 121.33 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.2 t -54.23 160.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -103.37 -26.62 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -87.39 -72.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.453 ' SG ' ' CG ' ' A' ' 38' ' ' ASN . 20.6 p -68.44 -40.6 81.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.63 35.76 9.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.453 ' CG ' ' SG ' ' A' ' 36' ' ' CYS . 1.3 m120 -107.2 169.19 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.413 ' CB ' ' HE ' ' A' ' 30' ' ' ARG . 96.1 p -80.67 143.33 33.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 74.8 m-85 -155.1 159.4 40.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.9 p -82.02 -175.51 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.1 t -81.86 0.98 37.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -107.23 -24.12 12.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 96.8 m -99.54 -31.03 11.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.0 t -95.49 41.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -121.34 43.15 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.23 117.49 23.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -88.55 128.46 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.7 m -144.39 151.24 50.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 133.37 25.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HE2' HG11 ' A' ' 66' ' ' VAL . 14.8 ptpt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.571 HG11 ' HE2' ' A' ' 51' ' ' LYS . 19.3 m -119.91 166.94 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -100.62 129.87 46.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.9 m -129.29 179.2 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.587 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 16.4 p -97.03 141.98 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.71 -58.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -41.22 -42.8 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 75' ' ' THR . 91.5 m -80.75 -63.78 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 72' ' ' CYS . 10.6 t30 -34.21 -35.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' CYS . 34.4 mt-30 -73.5 -47.63 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' CYS . 92.2 m -65.33 -41.95 93.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.935 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.0 t -53.3 147.72 9.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.651 ' O ' HG22 ' A' ' 18' ' ' THR . 24.8 m -96.63 21.15 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.68 -48.01 0.13 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.5 p -114.56 -6.14 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 m 59.21 46.38 13.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.77 103.3 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 -179.896 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -72.76 165.94 23.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 m -126.1 124.91 41.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.8 t -54.02 165.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -102.91 -30.62 10.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -87.38 -75.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.3 p -65.09 -36.05 83.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.88 37.48 22.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -105.27 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.3 p -92.8 142.78 26.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 70.6 m-85 -157.48 162.15 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -83.53 -179.35 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -82.88 19.84 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -127.67 -28.74 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.8 m -90.7 -37.47 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.6 t -90.51 41.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.0 41.22 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' HB3' ' CG ' ' A' ' 73' ' ' ASN . 93.1 m-85 -117.61 115.24 24.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -79.89 132.3 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.8 m -148.77 151.84 36.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 127.04 14.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.303 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.485 ' HD2' ' CG1' ' A' ' 66' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 19.2 m -118.82 160.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -102.53 117.6 35.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 73' ' ' ASN . 30.1 m -112.48 -178.93 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.599 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 24.1 p -93.85 152.16 19.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.92 -47.63 5.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -51.15 -44.55 61.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' THR . 92.5 m -79.01 -62.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.498 ' HB2' HG23 ' A' ' 68' ' ' VAL . 12.7 t30 -36.41 -41.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -67.07 -44.82 79.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' CYS . 88.2 m -66.01 -45.1 82.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.94 143.47 56.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.415 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.4 m -92.98 18.46 9.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.04 -48.82 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 p -110.77 -17.7 13.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.0 t 71.85 42.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.06 108.12 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.127 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -94.72 149.26 21.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m -113.39 129.51 56.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.2 t -61.52 165.14 5.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -102.09 -31.27 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -87.48 -74.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.1 p -65.07 -34.06 77.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.97 38.04 31.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.44 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 7.4 m120 -108.59 -179.19 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 19.6 m -90.57 144.43 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 90.4 m-85 -158.26 163.3 37.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.89 178.22 7.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.5 p -76.78 4.13 10.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -107.23 -30.43 8.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.0 m -90.98 -36.99 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 44.7 t -88.56 45.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -122.46 42.94 3.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 88.4 m-85 -124.08 119.26 28.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -90.71 118.49 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.6 HG21 ' CD1' ' A' ' 76' ' ' LEU . 17.4 m -138.15 150.73 68.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 111.146 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 130.33 19.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.639 ' HE2' HG11 ' A' ' 66' ' ' VAL . 14.8 ptpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.836 0.351 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.639 HG11 ' HE2' ' A' ' 51' ' ' LYS . 27.7 m -121.59 163.48 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -98.15 121.42 40.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 73' ' ' ASN . 22.6 m -120.44 178.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.2 p -96.22 142.03 28.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.58 -53.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.0 t -44.39 -45.28 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' CYS . 92.9 m -79.75 -56.43 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.528 ' ND2' ' CD2' ' A' ' 47' ' ' PHE . 13.0 t30 -41.39 -38.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.78 -41.31 78.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 72' ' ' CYS . 85.3 m -69.09 -45.53 70.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.6 ' CD1' HG21 ' A' ' 49' ' ' VAL . 35.0 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.895 0.378 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.56 144.84 56.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -93.04 18.88 8.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.84 -49.17 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.542 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.24 1.1 14.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m 49.21 51.71 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.49 104.24 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -88.22 147.81 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 p -108.82 129.41 55.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.3 t -61.83 165.02 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -106.14 -29.28 9.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -86.66 -73.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.6 p -68.02 -36.6 80.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.26 38.57 14.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.431 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 5.6 m120 -111.88 176.75 4.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -86.37 144.41 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.593 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 83.8 m-85 -158.02 159.22 36.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 p -82.32 179.28 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 p -77.2 0.71 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.501 ' NE ' ' O ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -104.29 -31.02 9.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 94.0 m -91.7 -33.42 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -96.29 40.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -113.14 29.02 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.14 122.08 42.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 23.3 mtmt -93.75 134.55 35.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.7 151.99 61.64 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.597 0.713 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 131.54 21.36 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.867 0.365 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.39 162.17 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 92.2 m-85 -99.53 126.23 45.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.7 m -124.94 175.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 15.4 p -95.51 146.04 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' HB1' ' NE2' ' A' ' 74' ' ' GLN . . . -39.0 -58.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m -40.29 -38.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 75' ' ' THR . 97.1 m -84.26 -63.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 t30 -37.06 -39.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' HB1' ' A' ' 70' ' ' ALA . 2.3 mp0 -64.32 -43.97 93.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.2 m -70.12 -48.55 57.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.5 t -76.12 146.36 39.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.465 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.3 m -97.32 24.3 6.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.35 -40.18 0.19 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -123.6 -2.97 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m 56.6 46.76 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -111.85 105.84 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.809 0.338 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -82.08 173.55 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 m -135.76 127.06 28.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.47 163.89 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -100.92 -32.05 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -86.54 -75.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.8 p -66.91 -31.67 72.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.03 37.62 56.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 4.5 m120 -104.05 177.81 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 p -87.42 139.49 30.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.592 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 95.8 m-85 -154.48 166.82 32.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -83.88 -175.4 5.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 p -85.82 12.31 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -120.79 -24.99 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -91.99 -38.03 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -92.75 44.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -122.94 46.3 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -125.87 121.98 34.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' CG ' ' CE1' ' A' ' 67' ' ' PHE . 56.0 mtpt -86.58 121.96 29.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.401 ' CG1' ' OD1' ' A' ' 73' ' ' ASN . 32.8 m -138.39 151.43 69.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 124.02 10.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.842 0.353 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.78 158.56 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.424 ' CE1' ' CG ' ' A' ' 48' ' ' LYS . 66.9 m-85 -98.54 123.77 42.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.551 HG23 ' HB2' ' A' ' 73' ' ' ASN . 27.1 m -124.13 178.95 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.592 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.3 p -92.5 151.1 20.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.15 -48.8 9.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.3 m -48.71 -42.08 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.892 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 75' ' ' THR . 68.2 m -81.82 -64.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.551 ' HB2' HG23 ' A' ' 68' ' ' VAL . 6.2 t30 -37.5 -38.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.37 -43.44 77.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.2 m -69.29 -38.86 78.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.91 151.45 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.632 ' O ' HG22 ' A' ' 18' ' ' THR . 21.9 m -96.7 19.87 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.183 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.1 -53.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.7 p -109.31 2.29 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.4 m 49.44 47.96 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.74 103.06 12.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.12 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.836 0.351 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -88.78 176.21 7.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.7 m -134.43 119.6 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.1 t -57.01 164.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -102.75 -29.81 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -87.61 -75.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.0 p -66.78 -33.89 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.68 37.51 30.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.492 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 4.7 m120 -107.05 173.6 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 m -86.94 135.64 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.586 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 95.0 m-85 -146.1 162.45 37.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 p -77.0 -175.0 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.5 m -84.33 0.42 49.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 12.4 mtp-105 -109.22 -20.61 12.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.3 m -97.06 -34.62 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 47.2 t -94.42 40.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -119.51 30.52 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 87.2 m-85 -111.56 112.62 24.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 67' ' ' PHE . 29.9 mttt -78.96 132.95 36.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -148.56 148.54 28.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 121.35 8.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.383 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 m -106.82 167.1 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.171 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.41 ' CZ ' ' HE3' ' A' ' 48' ' ' LYS . 36.4 m-85 -101.56 124.5 47.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.54 171.95 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.586 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.9 p -89.63 141.57 28.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . . . -36.5 -57.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 t -41.26 -41.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 75' ' ' THR . 91.2 m -80.62 -64.26 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' CYS . 3.8 t30 -34.73 -39.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -67.1 -48.19 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 72' ' ' CYS . 19.9 m -70.05 -53.38 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.901 0.381 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 t -52.39 148.8 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.573 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.8 m -96.67 21.79 8.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.201 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.43 -55.09 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.5 p -105.43 -1.76 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.346 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m 55.29 47.02 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.35 106.24 15.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.896 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.7 mtt85 -87.25 164.4 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 p -124.19 125.42 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.6 t -62.5 164.76 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -101.79 -30.33 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -87.92 -75.42 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.431 ' SG ' ' CG ' ' A' ' 38' ' ' ASN . 15.7 p -66.51 -32.72 74.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.78 37.97 37.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.542 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 3.1 m120 -107.12 173.93 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.9 m -87.94 137.58 32.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 18' ' ' THR . 92.4 m-85 -150.44 166.89 28.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.4 p -82.54 -176.76 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -83.21 9.84 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -115.0 -30.28 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.8 m -86.99 -39.37 15.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 t -90.43 42.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -117.32 39.06 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -119.9 125.22 47.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -92.57 116.92 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 m -133.45 149.34 72.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.02 11.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.301 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.457 ' HE2' HG11 ' A' ' 66' ' ' VAL . 14.8 ptpt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.5 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.457 HG11 ' HE2' ' A' ' 51' ' ' LYS . 29.0 m -113.81 170.08 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.51 131.02 46.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -132.9 166.31 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 17.3 p -86.14 143.32 28.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.74 -54.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 t -42.23 -40.49 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' THR . 75.6 m -82.97 -61.05 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' CYS . 1.7 t30 -35.92 -37.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -72.5 -44.2 62.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' CYS . 91.6 m -66.57 -44.38 82.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.7 t -41.22 160.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.578 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 2.9 m -103.67 12.83 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.16 -38.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' SER . 24.9 p -123.59 13.19 9.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' CYS . 37.9 m 37.13 50.51 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.07 110.01 22.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -79.25 177.63 8.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 m -131.02 129.47 42.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 39.9 t -66.64 164.7 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 m -105.24 -27.91 11.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -87.95 -75.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.443 ' SG ' ' CG ' ' A' ' 38' ' ' ASN . 15.5 p -67.66 -37.52 82.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.38 38.66 12.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.536 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 4.0 m120 -107.81 177.57 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -85.52 137.06 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 87.9 m-85 -153.16 166.77 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.58 -178.17 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.3 t -80.36 2.43 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -107.49 -27.97 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.4 m -95.25 -34.09 12.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.24 35.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 p -111.36 34.9 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -112.61 117.03 31.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 8.0 mtpm? -85.55 127.2 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.497 HG21 HG11 ' A' ' 68' ' ' VAL . 30.8 m -142.92 152.54 59.06 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.572 0.701 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 130.14 18.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.625 2.217 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.6 m -120.39 161.72 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 8.7 m-85 -98.58 134.28 41.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.497 HG11 HG21 ' A' ' 49' ' ' VAL . 19.0 m -129.45 171.08 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 16.9 p -90.73 146.53 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.95 -61.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -39.72 -35.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' THR . 88.1 m -86.91 -59.61 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -41.05 -38.95 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -66.91 -40.38 87.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' CYS . 85.3 m -72.34 -43.1 64.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.5 t -40.47 161.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.554 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 45.6 m -95.29 -9.09 34.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.08 -64.22 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.49 -8.11 39.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m 55.71 46.58 22.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' THR . . . -94.73 103.45 15.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ALA . 3.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -78.2 161.12 27.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -123.44 125.11 44.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 38.8 t -58.27 164.29 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -100.66 -32.63 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -85.43 -75.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.5 p -65.44 -35.54 81.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.25 37.4 28.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -108.3 174.85 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 m -82.21 141.59 32.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 66.7 m-85 -155.81 164.19 38.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 p -86.93 177.31 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -78.79 11.3 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -117.45 -29.22 5.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.9 m -91.44 -35.9 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 8.7 t -95.49 37.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 p -110.89 36.5 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -118.51 117.48 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 26.5 mtpp -88.17 119.9 29.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.6 m -131.29 151.41 78.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 133.04 24.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.808 0.337 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 m -116.97 150.39 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.548 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 42.4 m-85 -93.82 128.41 40.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 73' ' ' ASN . 19.6 m -128.32 175.95 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.576 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.5 p -90.45 147.89 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.25 -54.42 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -43.78 -43.42 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 75' ' ' THR . 90.2 m -80.43 -63.01 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.9 t30 -36.5 -41.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -64.8 -44.44 89.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' CYS . 80.2 m -69.66 -49.12 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 m -123.05 127.93 49.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -101.64 144.8 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.89 56.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -127.66 133.15 49.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -97.74 125.92 42.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.06 65.51 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 159.25 38.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.512 ' HB2' HG22 ' A' ' 11' ' ' THR . 1.1 p90 -39.31 143.25 0.53 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.667 0.746 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -5.58 16.53 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 9' ' ' TYR . 15.3 t -95.17 167.74 11.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -129.31 156.09 44.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.76 150.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -148.01 175.34 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.44 -18.61 8.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -140.38 175.9 9.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.7 t -61.97 150.99 36.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 18' ' ' THR . 49.6 m -97.46 20.66 11.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.61 -51.87 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.63 2.63 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 m 49.46 44.74 24.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.23 102.86 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.9 m -41.21 149.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CD2' ' HD2' ' A' ' 30' ' ' ARG . 24.2 m-85 -94.18 94.92 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.3 p -74.61 170.2 16.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.647 HG13 HD12 ' A' ' 27' ' ' LEU . 12.7 p -43.35 -34.42 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.647 HD12 HG13 ' A' ' 26' ' ' VAL . 2.5 mp -77.66 -50.2 12.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -72.48 137.3 46.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.42 125.14 53.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.565 ' HD2' ' CD2' ' A' ' 24' ' ' PHE . 15.3 ttt180 -61.53 99.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -80.31 174.57 11.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -134.99 124.62 25.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.8 t -60.96 164.01 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -104.07 -30.83 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -85.69 -74.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.425 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.8 -36.5 82.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.59 37.56 19.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.486 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 7.8 m-20 -108.71 172.37 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -85.92 142.73 28.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 92.3 m-85 -153.83 163.59 39.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.3 p -79.86 -175.21 4.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 t -84.72 11.1 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -118.21 -26.6 6.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.1 m -91.23 -36.22 14.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.4 t -91.8 36.22 0.96 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -111.5 39.66 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 86.1 m-85 -119.89 123.51 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -92.71 127.51 38.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.646 ' O ' HG22 ' A' ' 66' ' ' VAL . 33.9 m -146.28 148.45 34.72 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.581 0.705 . . . . 0.0 111.159 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.66 54.82 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HE2' HG11 ' A' ' 66' ' ' VAL . 17.2 ptpt -92.08 -27.28 17.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.4 p -51.37 -39.17 56.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.4 p -106.71 40.68 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 34.0 ttm -103.35 -44.79 5.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.26 -38.54 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -125.52 120.85 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.093 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.1 p -91.12 132.18 36.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.97 149.12 48.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.571 0.701 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -1.19 8.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -90.44 -61.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.461 ' HB1' ' HD2' ' A' ' 51' ' ' LYS . . . -88.64 102.7 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -120.11 -56.96 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -103.81 42.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -97.5 155.13 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 p -131.53 118.69 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 49' ' ' VAL . 35.3 m -109.73 162.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -98.77 132.75 43.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' A' ' 73' ' ' ASN . 35.9 m -135.13 168.65 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 17.2 p -87.67 141.51 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -36.08 -57.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.084 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -39.86 -42.12 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' THR . 77.3 m -82.4 -58.81 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' CYS . 4.0 t30 -37.67 -38.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -70.29 -44.83 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' CYS . 53.9 m -65.78 -41.5 91.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.99 -49.49 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.3 t -48.98 -62.03 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -83.82 151.96 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.3 p -103.39 163.46 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.75 -98.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 165.37 31.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 0.0 112.376 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -73.8 111.54 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.2 t -43.51 119.62 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.503 -179.951 . . . . . . . . 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 -0.296 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -90.77 104.51 17.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -137.49 109.04 6.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.69 142.94 12.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 m -41.57 158.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -64.36 -51.44 63.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.71 -62.57 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -53.43 123.51 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -99.27 143.69 26.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.726 0.774 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 121.95 8.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.37 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.3 p -139.42 146.35 40.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.38 143.88 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -83.84 165.36 18.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -98.69 178.13 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.9 -37.7 3.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.537 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -122.24 152.8 39.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.7 t -48.14 149.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.571 ' O ' HG22 ' A' ' 18' ' ' THR . 10.9 m -95.46 21.85 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.9 -57.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 p -104.41 -2.66 25.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.0 m 58.56 40.41 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.54 103.68 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 m -41.31 149.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.537 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 64.8 m-85 -88.94 95.99 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -77.71 -174.92 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 p -59.39 -23.54 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.24 24.27 11.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' CE ' ' NH2' ' A' ' 43' ' ' ARG . 47.7 mttt -139.32 107.89 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -87.56 117.04 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.537 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 7.2 ttp180 -55.57 97.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -84.82 152.55 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.4 m -113.16 123.55 50.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.9 t -52.73 165.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -100.38 -33.46 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -84.84 -74.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.483 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.9 p -66.95 -32.51 73.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.15 37.44 42.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 21.3 m-20 -105.51 175.17 5.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.82 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 57.6 p -81.34 143.52 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 86.5 m-85 -159.67 163.7 34.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -79.97 -175.28 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 m -84.11 0.91 46.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.485 ' NH2' ' CE ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -109.93 -20.75 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.4 m -95.91 -37.83 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.7 t -92.84 44.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -127.1 33.36 4.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -106.38 107.93 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -74.82 118.88 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.0 m -138.18 146.38 51.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.732 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.49 14.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 -28.05 33.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.3 t -60.39 -45.33 93.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.7 p -92.56 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.9 ttm -107.04 -57.18 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.24 -78.14 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.56 83.7 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -58.88 132.44 53.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.728 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -101.5 164.56 15.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.621 0.724 . . . . 0.0 111.094 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.728 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.5 Cg_endo -69.8 -17.44 37.37 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 pm0 -108.18 -23.48 11.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.27 82.53 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -115.51 -48.19 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -117.07 42.96 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -101.99 144.35 30.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.2 p -118.49 137.04 53.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.7 m -126.46 169.39 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -107.92 126.56 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.69 179.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.595 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.9 p -97.71 142.31 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.94 -47.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -49.64 -48.69 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 75' ' ' THR . 72.2 m -75.59 -59.42 2.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 t30 -36.11 -38.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.97 -44.38 76.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' CYS . 94.9 m -68.22 -46.78 69.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.0 mt -55.48 -56.88 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.0 t -59.69 -49.01 79.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -84.96 94.83 8.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.1 p -116.27 97.12 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.51 -95.09 1.52 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 90.82 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -105.84 42.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -152.51 129.85 11.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.453 179.991 . . . . . . . . 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 1.452 -0.278 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -48.59 147.6 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -167.7 140.31 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.91 177.94 15.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -130.99 142.43 50.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -123.3 139.15 54.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.99 144.66 6.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -163.75 146.98 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -148.65 134.68 9.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.709 0.766 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 169.19 19.44 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.74 2.293 . . . . 0.0 112.371 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -174.33 121.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -172.22 128.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -40.95 104.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.475 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 20.8 p90 -88.19 95.58 10.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -144.07 42.15 1.07 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.28 170.99 14.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.8 t -55.54 158.56 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.454 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 2.4 m -97.81 5.64 48.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.51 -56.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.9 p -103.87 8.47 36.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.4 p 38.87 42.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.6 100.17 11.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.3 m -38.79 147.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE2' ' HD2' ' A' ' 30' ' ' ARG . 37.0 m-85 -92.79 104.04 16.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -73.23 178.81 4.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.612 HG23 HD23 ' A' ' 27' ' ' LEU . 3.3 m -54.01 -32.33 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.612 HD23 HG23 ' A' ' 26' ' ' VAL . 2.2 mm? -81.42 -57.78 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -58.86 114.77 2.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -91.62 115.35 27.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.572 ' HD2' ' CE2' ' A' ' 24' ' ' PHE . 8.3 ttp180 -48.26 111.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -89.02 153.53 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -118.32 122.05 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.5 t -57.66 164.28 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -102.67 -31.47 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -85.64 -74.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.6 p -67.05 -35.24 79.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.12 37.3 29.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.494 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 12.4 m-20 -106.32 174.28 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 p -85.77 136.77 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 86.7 m-85 -149.1 163.18 38.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -82.61 -175.78 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.5 m -85.53 12.91 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -120.68 -27.14 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.8 m -92.72 -31.01 15.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.3 t -100.19 36.54 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 p -108.14 32.58 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -119.28 124.43 46.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 24.6 mtmt -96.21 131.03 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 76' ' ' LEU . 31.8 m -138.04 150.26 66.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.22 8.9 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' HD2' ' CG1' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -79.49 -46.94 16.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.6 p -54.73 -43.28 72.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 p -101.49 39.52 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.41 ' HG2' HD22 ' A' ' 76' ' ' LEU . 25.2 ttm -92.52 -59.65 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -159.66 -38.63 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.52 89.12 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 76.8 p -57.81 103.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.87 145.64 30.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.697 . . . . 0.0 111.11 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -16.25 37.53 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 4.2 pt-20 -86.5 -29.33 22.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 60' ' ' GLU . . . -115.56 117.63 30.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -140.44 135.12 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.93 41.68 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -106.86 161.03 15.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.3 p -119.29 153.07 35.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 20.8 m -148.74 156.1 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.445 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 86.7 m-85 -93.77 130.18 39.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.5 HG23 ' HB2' ' A' ' 73' ' ' ASN . 23.4 m -132.05 173.16 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.604 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 21.1 p -91.21 145.36 24.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.65 -53.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -44.97 -39.55 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 75' ' ' THR . 93.3 m -84.21 -62.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.5 ' HB2' HG23 ' A' ' 68' ' ' VAL . 5.4 t30 -37.48 -39.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -67.83 -42.67 81.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 72' ' ' CYS . 73.2 m -70.54 -44.34 67.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 49' ' ' VAL . 43.5 mt -61.09 -60.1 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 76' ' ' LEU . 38.3 t -35.3 -44.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -40.81 148.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 m -120.4 170.37 9.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.69 -177.65 36.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 9.67 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.345 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 83.0 p -71.77 67.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -150.09 138.61 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.479 -179.987 . . . . . . . . 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 -0.302 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -111.57 128.91 56.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -102.83 130.4 49.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.33 73.08 1.49 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -98.6 40.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -72.22 163.45 27.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.9 102.4 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -139.72 132.29 28.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.818 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -155.05 151.61 23.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.657 0.741 . . . . 0.0 110.975 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 131.8 22.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.2 t -43.2 140.12 1.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -134.39 -39.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -51.05 -45.55 61.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.98 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.64 -33.9 2.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.0 163.11 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.3 t -39.78 158.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.58 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 26.8 m -92.41 -1.72 56.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.01 -61.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 22' ' ' ALA . 26.8 p -102.59 19.37 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.344 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' CYS . 83.8 p 36.38 30.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.504 ' HB1' ' HE3' ' A' ' 28' ' ' LYS . . . -65.92 100.18 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -51.65 146.29 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CE2' ' HD2' ' A' ' 30' ' ' ARG . 11.4 m-85 -108.48 109.73 21.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 m -129.01 -68.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.592 HG13 ' N ' ' A' ' 27' ' ' LEU . 7.5 p -134.79 -51.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.592 ' N ' HG13 ' A' ' 26' ' ' VAL . 20.7 mt -87.94 38.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' HE3' ' HB1' ' A' ' 22' ' ' ALA . 2.9 tppt? -173.49 125.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -109.35 129.93 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.568 ' HD2' ' CE2' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -73.7 105.82 5.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -87.4 -176.1 5.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.4 m -136.41 119.75 16.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.8 t -55.97 164.44 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -101.89 -31.82 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -85.9 -75.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.0 p -66.17 -35.9 81.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.88 37.72 25.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -106.93 176.25 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 m -84.48 137.31 33.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 71.8 m-85 -150.89 167.51 27.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -87.93 -174.96 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.8 t -85.63 12.74 8.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -120.06 -28.33 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.8 m -91.6 -37.47 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.4 t -93.64 42.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -121.77 42.18 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -118.49 117.44 29.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -81.88 116.65 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.482 ' O ' HG22 ' A' ' 66' ' ' VAL . 18.1 m -137.5 150.76 69.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.76 19.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 52' ' ' SER . 12.1 ptpt -84.39 -34.43 23.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 36.1 p -38.41 -51.28 1.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.8 m -54.46 -54.96 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -54.86 143.65 25.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.12 -122.57 16.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.74 113.22 13.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.1 p -39.26 129.23 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -123.25 158.45 58.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.061 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 54.1 Cg_endo -69.76 1.28 4.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.334 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -97.59 -44.46 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.05 117.48 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -120.47 -44.94 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.14 25.06 5.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.59 166.13 11.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.8 p -131.6 136.45 47.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 49' ' ' VAL . 33.2 m -132.02 166.72 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -101.38 123.15 44.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 m -124.04 170.87 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.604 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.6 p -88.35 143.11 27.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.802 ' HB1' HE22 ' A' ' 74' ' ' GLN . . . -38.34 -51.88 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.9 t -46.55 -42.0 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 75' ' ' THR . 98.8 m -79.04 -60.43 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.1 t30 -36.38 -40.91 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.802 HE22 ' HB1' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -65.96 -46.64 77.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.0 m -68.18 -50.95 51.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 mt -51.65 -57.37 9.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.7 p -43.06 -43.57 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -73.08 174.46 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -45.93 -52.24 11.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.79 84.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -22.47 32.28 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.383 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 83' ' ' SER . 37.7 t -107.89 149.87 27.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 82' ' ' SER . 80.5 p -36.53 -44.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.455 -179.92 . . . . . . . . 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 1.452 -0.289 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -60.56 161.83 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -134.03 157.84 45.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.73 -143.35 5.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -163.18 160.59 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.836 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -123.12 119.19 29.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.04 78.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -63.13 176.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -57.41 137.96 81.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -175.86 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.4 p -120.17 137.95 53.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -169.96 154.97 5.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -51.59 165.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -78.65 -60.41 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.61 -37.14 3.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.18 166.73 22.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -46.3 154.55 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.585 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 4.4 m -100.79 11.0 40.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.07 -37.28 0.51 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.2 p -127.31 13.68 7.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.1 t 38.74 55.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.94 111.34 23.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 m -61.99 138.04 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD2' ' HD2' ' A' ' 30' ' ' ARG . 1.4 m-85 -99.18 96.95 8.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -134.9 -61.4 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.509 HG23 ' N ' ' A' ' 27' ' ' LEU . 35.6 m -79.57 -45.71 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' N ' HG23 ' A' ' 26' ' ' VAL . 12.7 mt -147.85 -175.01 4.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' LYS . 6.5 mtpp 63.85 54.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' LYS . 58.0 mttp -33.59 130.23 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 24' ' ' PHE . 17.9 ttt-85 -55.85 91.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -76.5 167.04 22.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 m -128.12 125.27 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.39 164.03 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 m -101.97 -31.31 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -85.98 -75.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.501 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.3 p -67.19 -33.98 76.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.24 38.03 35.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.42 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.501 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 36.0 m-20 -102.5 -174.89 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 p -93.7 131.58 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 84.3 m-85 -146.54 167.38 23.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.6 p -91.86 -179.91 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 t -81.41 14.71 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -124.16 -25.22 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.4 m -94.06 -36.8 11.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.9 t -92.44 36.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -105.88 35.93 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 98.5 m-85 -112.07 118.18 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -91.61 117.42 29.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 66' ' ' VAL . 34.7 m -134.03 150.64 74.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 111.163 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 120.02 6.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 64' ' ' GLU . 9.1 ptpt -75.32 -30.49 60.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.3 p -50.43 -29.31 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.799 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.0 m -102.37 63.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 56' ' ' ALA . 5.4 mmt -136.54 133.78 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 54' ' ' MET . . . 35.21 -94.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 54' ' ' MET . . . -109.82 130.6 55.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.6 p -69.77 152.58 44.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.07 152.11 76.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.95 35.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -84.36 -54.3 4.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.47 95.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -136.1 105.15 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 71.96 40.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' HB3' ' CG ' ' A' ' 51' ' ' LYS . 2.9 tm-20 -109.43 137.35 47.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.9 p -104.82 132.61 50.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 49' ' ' VAL . 34.9 m -122.15 162.78 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -100.36 112.01 24.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.4 m -112.79 175.07 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.603 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.7 p -91.84 152.56 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.591 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . . . -45.62 -47.61 14.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.5 t -50.45 -43.68 55.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 75' ' ' THR . 72.6 m -78.63 -60.52 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' CYS . 5.6 t30 -38.0 -38.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 78' ' ' LYS . 61.8 mm-40 -70.36 -40.47 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 72' ' ' CYS . 88.0 m -70.46 -43.34 70.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.5 mt -63.48 -49.01 75.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -69.93 -51.37 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 74' ' ' GLN . 48.5 tttm -47.47 127.33 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.8 p -78.15 132.49 37.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.2 163.19 15.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.439 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 82' ' ' SER . 54.0 Cg_endo -69.72 3.55 2.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 81' ' ' PRO . 23.0 m -32.8 131.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -134.16 99.74 4.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.438 -179.97 . . . . . . . . 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 1.451 -0.306 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -59.32 127.31 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -156.96 131.53 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.23 170.37 21.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -109.94 161.98 14.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -88.1 171.2 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.71 135.06 2.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -156.43 170.92 21.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.344 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.411 ' CE2' ' CG2' ' A' ' 11' ' ' THR . 10.3 p90 -121.78 139.43 30.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.74 54.89 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.411 ' CG2' ' CE2' ' A' ' 9' ' ' TYR . 75.6 p -149.61 121.33 8.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -100.15 -50.3 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -139.55 165.66 26.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -120.13 39.91 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.14 52.37 0.65 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -141.75 168.22 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -49.09 161.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 18' ' ' THR . 73.4 m -101.52 13.38 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.65 -48.96 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.91 12.68 14.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 t 44.67 30.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.95 101.61 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 m -46.46 149.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' A' ' 30' ' ' ARG . 59.9 m-85 -101.74 92.2 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 26' ' ' VAL . 2.7 m -77.79 157.31 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' SER . 7.5 p -34.08 -41.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' N ' HG13 ' A' ' 26' ' ' VAL . 1.6 tt -66.67 -55.9 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' CE ' ' HB2' ' A' ' 41' ' ' CYS . 23.6 tttt -71.89 131.02 42.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -100.37 119.18 38.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 24' ' ' PHE . 6.7 ttp180 -57.15 117.45 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -92.16 160.33 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.5 m -120.73 135.03 55.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.6 t -71.14 164.74 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -104.57 -29.52 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -86.6 -74.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.5 p -66.48 -37.29 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.7 37.32 13.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.427 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.471 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 1.9 m-20 -112.57 172.9 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.1 m -81.77 147.08 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 82.5 m-85 -158.84 162.65 37.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.49 ' HB2' ' CE ' ' A' ' 28' ' ' LYS . 25.3 p -79.76 -175.57 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 m -83.24 -0.5 49.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -105.27 -27.53 11.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.72 -37.39 12.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 45.2 t -92.14 41.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -123.61 43.44 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -123.19 115.5 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -81.42 123.0 28.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.8 m -144.68 151.34 49.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.3 5.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.865 ' HD2' ' HB1' ' A' ' 61' ' ' ALA . 13.6 ptpt -49.94 -33.12 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.5 p -63.64 161.38 14.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.4 m 62.43 35.6 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.1 mtm -128.06 42.53 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.48 -97.19 1.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.6 95.91 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.072 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 p -136.82 -179.27 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.02 154.74 49.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 0.45 5.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.62 2.213 . . . . 0.0 112.386 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.91 -49.86 7.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.865 ' HB1' ' HD2' ' A' ' 51' ' ' LYS . . . -73.96 71.69 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -106.11 -58.92 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -61.46 -31.94 71.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.71 153.38 10.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.7 p -135.83 157.34 47.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.2 m -140.9 160.96 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -99.01 116.22 30.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.405 HG23 ' HB2' ' A' ' 73' ' ' ASN . 22.8 m -112.02 176.77 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.599 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.0 p -91.22 140.82 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.78 -56.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -43.1 -45.07 5.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 75' ' ' THR . 85.6 m -77.62 -63.71 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.6 t30 -35.43 -40.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -68.65 -44.69 73.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' CYS . 91.4 m -65.55 -44.46 86.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.3 mt -59.47 -55.83 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.7 m -83.82 48.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.78 86.2 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 97.0 p -55.92 176.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.67 -152.69 19.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 172.71 12.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -78.94 103.44 8.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -104.16 -56.01 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.488 -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 -0.329 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t 37.69 42.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -116.88 106.7 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.57 47.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -94.14 82.98 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -112.15 169.17 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.34 125.13 1.93 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -105.17 167.09 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -130.49 144.94 55.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 171.81 13.79 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.644 2.229 . . . . 0.0 112.355 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.7 m -133.19 122.07 23.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.64 41.9 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -129.21 83.49 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -113.71 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.53 37.12 77.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.24 161.66 36.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 t -52.9 160.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 18' ' ' THR . 33.6 m -103.71 8.18 37.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.57 -31.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' SER . 18.2 p -130.39 16.45 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' CYS . 3.8 m 33.79 54.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.67 106.83 17.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -49.96 141.09 11.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.422 ' CD2' ' HD2' ' A' ' 30' ' ' ARG . 50.1 m-85 -91.88 114.59 27.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.6 m -103.56 175.43 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 HD12 ' A' ' 27' ' ' LEU . 2.9 m -49.04 -18.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.567 HD12 HG23 ' A' ' 26' ' ' VAL . 2.3 mp -91.97 -55.91 3.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 103.8 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -74.64 118.53 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 39' ' ' SER . 6.4 ttp85 -55.1 109.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -92.93 144.8 24.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.2 p -112.09 124.51 52.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.5 t -56.14 164.88 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -104.81 -31.02 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -85.48 -73.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.3 p -65.82 -39.86 91.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.06 36.66 10.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.485 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 15.1 m-20 -109.27 174.94 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.43 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 10.8 p -84.86 142.88 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 87.9 m-85 -156.59 162.9 39.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -85.63 -177.63 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.9 p -80.7 6.06 13.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -110.83 -31.41 7.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.2 m -89.9 -35.99 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.7 t -94.62 34.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -108.25 36.18 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -123.14 127.97 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' CG ' ' CE1' ' A' ' 67' ' ' PHE . 7.0 mtpm? -97.44 136.39 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 66' ' ' VAL . 27.6 m -149.47 152.47 35.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 111.18 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 127.93 15.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.388 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.501 ' CD ' ' HB3' ' A' ' 64' ' ' GLU . 15.8 ptmt -81.34 -30.87 33.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.3 p -56.25 -36.16 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.8 p -93.35 41.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.456 ' CG ' ' HA ' ' A' ' 51' ' ' LYS . 1.9 ppp? -173.09 173.8 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.86 -159.69 1.73 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.49 117.68 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.068 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.2 p -68.58 103.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.72 149.0 39.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 0.0 111.089 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.17 6.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -94.99 -50.11 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.49 112.73 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -145.12 121.52 10.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 57.42 49.75 12.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.501 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 4.5 tp10 -109.63 164.22 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.0 p -122.23 125.87 46.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 49' ' ' VAL . 22.5 m -123.47 161.29 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.637 ' CE1' ' CG ' ' A' ' 48' ' ' LYS . 84.4 m-85 -105.07 112.42 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.15 -178.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.611 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 23.5 p -97.13 143.73 27.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.41 -53.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 m -44.64 -48.09 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' THR . 83.2 m -77.18 -57.69 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' CYS . 9.9 t30 -38.03 -40.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -66.16 -44.61 83.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' CYS . 90.2 m -69.09 -48.96 61.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.07 -53.27 56.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -83.45 48.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.98 86.78 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -101.25 122.18 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.71 144.07 10.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.74 36.19 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 m -107.89 -43.51 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -160.68 159.95 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.521 -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 1.45 -0.374 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -146.65 123.48 11.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 t -77.82 -44.92 25.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.96 116.94 3.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 m -136.42 175.02 9.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 p -173.25 165.3 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.41 85.5 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.553 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -156.14 122.04 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 8' ' ' ARG . 62.7 m-85 -158.76 148.58 15.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.683 0.754 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -171.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.3 p -89.27 97.72 11.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.13 81.39 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.23 130.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -114.25 178.31 4.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 153.64 -38.64 0.71 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -118.66 174.41 6.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.9 t -62.11 153.15 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.568 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 3.3 m -99.25 27.94 4.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.172 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.25 -54.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p -107.25 -5.26 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m 61.29 39.22 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.36 118.41 35.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.6 m -64.12 145.38 56.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 30' ' ' ARG . 3.6 m-85 -93.77 100.87 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.1 t -107.09 -67.84 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -133.91 -56.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.771 ' H ' HD12 ' A' ' 27' ' ' LEU . 4.5 mp -60.74 -58.92 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -85.48 130.26 34.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -111.23 119.3 38.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 8.2 ttp85 -44.44 98.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -99.04 161.19 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.0 m -116.04 129.26 56.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.05 164.8 9.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -99.18 -32.65 11.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -85.89 -75.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.452 ' SG ' ' CG ' ' A' ' 38' ' ' ASN . 15.4 p -68.33 -29.64 68.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.87 37.69 60.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 15.7 m-20 -104.02 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.2 p -83.14 138.43 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 87.6 m-85 -153.85 162.97 40.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -79.75 -176.04 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.4 p -85.56 7.34 23.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -117.15 -21.34 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.6 m -94.43 -38.3 11.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 45.1 t -90.98 42.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -118.48 43.64 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -117.86 118.31 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -85.52 122.07 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' VAL . 31.1 m -144.62 148.43 39.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.742 . . . . 0.0 111.135 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 134.25 27.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.464 ' HE2' ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -91.39 30.39 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 t -112.47 -42.54 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' MET . 12.8 t -67.32 -39.66 85.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' SER . 43.8 mtt -35.67 -49.71 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.0 145.5 8.19 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.03 138.87 14.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 58' ' ' ALA . 14.8 t -169.36 167.57 10.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 57' ' ' THR . . . -36.49 144.41 0.27 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.577 0.703 . . . . 0.0 111.081 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.62 5.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -65.1 -46.04 82.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 51' ' ' LYS . . . -89.7 80.87 6.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -130.15 139.97 50.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 5.3 mmp_? 62.0 35.11 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 65' ' ' THR . 29.4 tp10 -106.68 157.69 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.413 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 68.5 p -124.05 128.48 49.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG1' ' HE2' ' A' ' 51' ' ' LYS . 16.9 m -126.23 165.35 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -100.89 126.94 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.5 m -125.45 175.95 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 15.0 p -97.29 146.72 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.24 -58.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.9 m -40.18 -39.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 75' ' ' THR . 85.4 m -84.06 -60.54 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -39.59 -39.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -67.08 -43.98 81.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' CYS . 66.5 m -68.15 -40.61 82.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.22 -49.24 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.2 t -90.54 45.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -105.97 151.42 24.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.9 p -111.65 100.22 8.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.55 170.46 25.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 168.36 21.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.22 . . . . 0.0 112.371 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.7 p -162.61 122.91 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.4 m -151.23 154.03 36.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.473 -179.974 . . . . . . . . 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 -0.337 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -106.46 108.04 19.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.954 0.407 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -145.67 137.5 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.38 -163.62 12.11 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 t -97.49 41.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -40.24 102.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.62 122.57 2.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.455 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -121.36 161.8 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -113.09 138.1 22.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.6 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 11' ' ' THR . 9.1 t -78.49 105.79 10.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -39.99 -64.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -159.33 179.74 8.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -94.66 174.86 6.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.81 -38.3 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -137.31 170.4 16.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.53 148.67 23.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 18' ' ' THR . 23.4 m -93.73 22.76 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.99 -49.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.5 p -116.54 -1.68 12.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m 55.21 43.24 29.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.56 102.48 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.07 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -40.27 147.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 45.4 m-85 -92.06 128.18 37.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.0 p -106.11 -177.81 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 27' ' ' LEU . 27.2 m -51.76 -43.2 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' HG23 ' A' ' 26' ' ' VAL . 52.0 mt -74.63 -59.19 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.32 89.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 121.01 18.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 10.6 ttp180 -49.16 108.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.4 mtt-85 -89.95 147.26 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m -113.47 123.36 49.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -52.32 164.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -99.31 -31.4 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -87.98 -75.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.4 p -65.88 -31.24 72.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.77 38.34 56.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.534 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 20.1 m-20 -105.67 174.02 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.9 p -82.79 140.6 32.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.586 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 89.2 m-85 -155.49 161.71 40.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.4 p -81.98 179.65 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.2 p -81.41 11.33 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.7 mmt-85 -118.88 -23.96 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.6 m -95.59 -34.14 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.5 t -93.65 36.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -113.14 37.24 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.88 112.55 22.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -81.74 120.33 25.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.596 HG21 ' CD1' ' A' ' 76' ' ' LEU . 33.2 m -134.73 144.16 49.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.71 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 127.2 14.19 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.232 . . . . 0.0 112.355 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.676 ' HD2' ' HB1' ' A' ' 61' ' ' ALA . 12.1 ptpt -79.68 -34.18 40.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -47.85 -23.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.4 p -109.01 56.73 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.8 mtt -127.7 76.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.28 -95.06 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.41 103.48 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.8 t -72.11 147.7 46.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.81 151.59 48.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 1.07 4.78 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.06 -23.69 12.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 51' ' ' LYS . . . -117.07 93.33 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ARG . 27.2 mt-30 -129.5 153.35 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLN . 67.0 mtt180 37.11 39.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HB3' ' CG ' ' A' ' 51' ' ' LYS . 40.8 tp10 -107.34 154.67 20.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.4 p -122.44 138.1 54.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.13 169.01 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -106.2 121.06 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.401 HG13 HG22 ' A' ' 49' ' ' VAL . 13.3 m -121.0 179.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.586 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 21.7 p -96.17 148.83 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.09 -50.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 m -47.05 -50.8 18.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' THR . 74.0 m -75.15 -58.92 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' CYS . 14.2 t30 -35.54 -40.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -68.83 -44.72 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' CYS . 90.7 m -66.09 -44.56 84.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.596 ' CD1' HG21 ' A' ' 49' ' ' VAL . 73.5 mt -60.77 -55.87 27.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 t -42.08 -60.56 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -64.55 137.27 57.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 t -86.88 130.2 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 165.36 131.32 1.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 165.59 30.38 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 92.1 p -79.23 126.98 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.4 m -81.52 -52.91 6.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.513 179.975 . . . . . . . . 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 1.45 -0.379 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -60.07 96.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 p -99.81 117.64 34.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.69 77.79 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -111.65 150.61 29.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.39 . . . . 0.0 110.822 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -73.94 -44.51 54.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.53 132.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -156.56 169.24 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -141.51 140.01 19.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 110.92 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -9.9 27.24 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.248 . . . . 0.0 112.337 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.7 p -58.04 118.72 5.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -121.8 159.76 26.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -72.38 108.12 5.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -57.01 -179.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.49 -31.3 4.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -125.13 150.29 47.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.8 t -38.83 146.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 18' ' ' THR . 8.6 m -98.55 26.25 5.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.99 -49.12 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.83 -16.76 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 t 74.74 36.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.8 110.01 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.6 m -59.12 150.62 24.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.56 ' CE1' ' HD2' ' A' ' 30' ' ' ARG . 1.0 OUTLIER -106.3 134.76 48.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 t -129.94 -67.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.31 -69.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.96 -67.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -60.69 128.44 36.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -112.67 129.61 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 24' ' ' PHE . 16.3 ttt-85 -67.64 101.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -85.96 -176.44 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -137.71 123.23 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.4 t -60.97 165.08 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -104.43 -26.89 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -91.0 -75.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.474 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 14.3 p -68.3 -30.93 70.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.54 39.93 48.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.572 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 40.8 m-20 -105.07 177.67 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -92.12 131.54 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 93.8 m-85 -145.63 166.74 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.03 -176.16 6.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -84.19 11.35 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -119.19 -27.48 5.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.5 m -89.83 -35.7 15.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.6 t -95.66 43.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -116.71 36.98 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.33 128.38 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 25.1 mtpp -86.39 154.99 20.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 66' ' ' VAL . 33.1 m -158.55 152.2 19.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.683 0.754 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -70.27 -17.08 63.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 t -85.76 34.0 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -132.29 -52.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -92.65 140.71 29.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.13 -176.01 52.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.32 37.01 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 t -44.59 158.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.782 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -67.88 166.63 21.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 111.087 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.782 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 54.3 Cg_endo -69.77 -1.09 7.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.622 2.215 . . . . 0.0 112.384 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.491 ' HG2' ' HB3' ' A' ' 58' ' ' ALA . 16.1 pt-20 -84.43 -42.43 15.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' GLU . . . -81.26 76.03 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.99 -55.31 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -93.48 39.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -98.64 153.12 18.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.7 p -131.29 124.8 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.131 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 49' ' ' VAL . 29.1 m -118.17 150.66 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -87.98 135.41 33.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -132.22 -179.12 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 19.8 p -93.36 142.32 27.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -35.04 -52.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -46.21 -46.56 17.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' THR . 97.3 m -75.25 -61.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -37.89 -38.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -67.64 -44.06 78.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' CYS . 95.4 m -71.13 -48.85 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.57 -48.06 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.9 p -88.07 54.06 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -134.22 149.3 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.4 m -89.74 108.9 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.74 -95.05 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.23 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.1 t -83.52 -55.16 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -126.12 136.28 52.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.484 -179.97 . . . . . . . . 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 1.45 -0.38 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -107.01 100.96 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.367 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 m -70.68 -62.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.75 84.13 0.12 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -162.08 120.95 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 p -99.1 166.34 11.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.62 108.46 0.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.453 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -147.17 163.85 35.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.364 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.85 138.95 37.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.717 0.77 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 11' ' ' THR . 53.8 Cg_endo -69.8 5.71 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.279 . . . . 0.0 112.293 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 10' ' ' PRO . 10.3 t -33.35 143.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -174.75 150.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -57.41 135.97 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -121.26 102.93 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.84 -32.23 33.51 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -122.77 154.41 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.0 t -44.3 152.09 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.575 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 3.2 m -96.55 27.55 3.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.25 -57.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 p -107.82 -0.6 21.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.9 m 62.68 29.13 16.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.87 107.0 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 m -62.13 147.22 48.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.589 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 1.9 m-85 -104.42 113.55 27.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.0 m -114.28 -76.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.782 HG23 HD12 ' A' ' 27' ' ' LEU . 15.4 m -132.72 -30.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.782 HD12 HG23 ' A' ' 26' ' ' VAL . 4.8 mp -84.13 -66.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 132.1 46.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -103.23 137.62 41.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.589 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 5.1 tpp85 -65.1 91.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.453 ' CD ' ' HA ' ' A' ' 42' ' ' SER . 31.8 mtt85 -87.24 146.61 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 m -111.12 136.01 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.0 t -69.28 164.63 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 t -101.39 -31.93 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -85.45 -75.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.4 p -66.24 -35.41 80.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.26 37.22 25.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 8.0 m-20 -108.04 177.41 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 8.8 m -84.87 145.12 27.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 89.2 m-85 -158.73 168.34 27.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.4 p -88.07 -176.9 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.453 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 23.0 t -82.46 4.52 23.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -110.47 -26.92 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 77.2 m -93.94 -37.13 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.42 42.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -121.95 37.68 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.406 ' CD1' ' CG ' ' A' ' 73' ' ' ASN . 72.8 m-85 -113.58 111.32 21.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -76.85 126.3 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 66' ' ' VAL . 27.4 m -150.94 151.42 29.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.711 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.37 14.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HE3' HG11 ' A' ' 66' ' ' VAL . 5.9 ptpp? -78.79 -37.53 40.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -58.37 -44.44 88.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -48.14 -52.1 22.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.5 mtm -49.33 -42.48 41.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 56' ' ' ALA . . . 171.72 89.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 55' ' ' GLY . . . -34.14 111.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t -133.25 37.96 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . . . -174.65 144.97 0.92 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -9.61 26.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.264 . . . . 0.0 112.341 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -111.66 -47.54 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 58' ' ' ALA . . . -52.89 97.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -132.78 -53.83 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -127.46 38.89 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.13 174.95 9.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.6 p -134.71 123.51 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.438 HG11 ' HE3' ' A' ' 51' ' ' LYS . 35.8 m -120.48 163.46 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -97.86 129.65 44.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.6 m -125.49 168.1 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.4 p -85.87 140.53 30.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.57 -56.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.4 t -41.99 -44.12 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 69' ' ' CYS . 92.6 m -79.32 -56.34 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.406 ' CG ' ' CD1' ' A' ' 47' ' ' PHE . 13.6 t30 -38.76 -40.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.59 -44.94 76.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' CYS . 70.9 m -65.68 -47.35 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.23 -56.55 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.1 p -62.88 -35.63 80.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -50.87 127.03 17.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.9 p -41.09 104.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.33 169.53 34.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.439 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 167.65 23.81 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.384 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -101.24 92.72 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 t -173.52 108.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.474 179.985 . . . . . . . . 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 -0.357 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -130.32 156.23 45.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.893 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -148.82 169.07 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.5 50.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -58.02 121.3 10.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 t -125.07 167.58 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.24 154.0 9.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -155.75 139.16 15.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.414 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 8.3 m-85 -37.91 106.68 0.37 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 9' ' ' TYR . 53.6 Cg_endo -69.76 -1.22 8.1 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.3 p -91.78 145.14 24.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -105.71 -58.88 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -107.45 100.94 10.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 33.5 p90 -124.46 95.8 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -115.76 49.38 0.86 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.436 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.463 ' OD1' HG23 ' A' ' 23' ' ' THR . 0.9 OUTLIER -143.08 173.77 11.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 t -62.28 159.45 15.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.564 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 23.7 m -100.0 4.65 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.54 -58.24 0.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -103.17 12.83 35.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.5 m 42.86 32.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.88 100.18 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.463 HG23 ' OD1' ' A' ' 16' ' ' ASN . 18.9 m -51.32 148.7 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 30' ' ' ARG . 6.1 m-85 -97.82 43.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -98.84 -50.11 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 27' ' ' LEU . 64.0 t -64.77 76.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER 32.94 41.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -111.15 112.09 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -60.84 132.89 55.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.562 ' HD2' ' CD1' ' A' ' 24' ' ' PHE . 25.8 ttt-85 -92.99 124.57 37.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' CZ ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -96.98 175.83 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.4 p -141.93 121.33 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.2 t -54.23 160.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -103.37 -26.62 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -87.39 -72.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.504 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 20.6 p -68.44 -40.6 81.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.63 35.76 9.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.504 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 3.2 m-20 -107.2 169.19 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.413 ' CB ' ' HE ' ' A' ' 30' ' ' ARG . 96.1 p -80.67 143.33 33.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 74.8 m-85 -155.1 159.4 40.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.9 p -82.02 -175.51 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.1 t -81.86 0.98 37.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -107.23 -24.12 12.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 96.8 m -99.54 -31.03 11.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.0 t -95.49 41.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -121.34 43.15 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.23 117.49 23.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -88.55 128.46 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.7 m -144.39 151.24 50.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 133.37 25.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HE2' HG11 ' A' ' 66' ' ' VAL . 14.8 ptpt -87.36 40.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 t -117.76 -52.04 2.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' MET . 3.5 t -56.29 -41.37 75.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -34.68 -68.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' ALA . . . -179.61 -143.14 5.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' GLY . . . -36.98 99.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 t -122.35 140.36 52.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.857 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -82.24 168.41 23.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.713 . . . . 0.0 111.069 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.857 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.9 Cg_endo -69.7 -6.15 17.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -97.83 -50.25 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 51' ' ' LYS . . . -49.77 -24.29 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -49.85 145.43 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 60.53 39.9 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -118.31 156.86 28.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.1 p -127.3 120.74 29.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.571 HG11 ' HE2' ' A' ' 51' ' ' LYS . 19.3 m -119.91 166.94 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -100.62 129.87 46.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.9 m -129.29 179.2 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.587 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 16.4 p -97.03 141.98 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.71 -58.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -41.22 -42.8 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 75' ' ' THR . 91.5 m -80.75 -63.78 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 72' ' ' CYS . 10.6 t30 -34.21 -35.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' CYS . 34.4 mt-30 -73.5 -47.63 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' CYS . 92.2 m -65.33 -41.95 93.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.67 -48.7 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' LYS . 32.0 t -59.1 -45.03 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' SER . 21.0 mmtm -34.61 112.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 p -76.89 172.57 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.794 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.71 168.44 13.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.56 21.25 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.3 t -117.22 137.12 52.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 t -46.2 140.9 3.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.474 -179.998 . . . . . . . . 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 -0.313 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p -103.14 144.22 31.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 p -104.87 162.78 13.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.3 107.91 1.63 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 t -122.49 103.21 8.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -54.52 143.23 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.09 75.66 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -172.08 144.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -133.42 155.82 80.34 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.694 0.759 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 161.6 45.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 m -156.35 136.08 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -152.48 140.67 20.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.81 143.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -125.82 101.15 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.38 43.54 0.62 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -139.92 162.37 35.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.0 t -53.3 147.72 9.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 18' ' ' THR . 24.8 m -96.63 21.15 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.68 -48.01 0.13 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.5 p -114.56 -6.14 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 m 59.21 46.38 13.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.77 103.3 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 m -43.19 145.81 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.582 ' CE1' ' HD2' ' A' ' 30' ' ' ARG . 20.2 m-85 -90.51 84.16 5.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 p -69.08 171.05 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.627 HG23 ' CD2' ' A' ' 27' ' ' LEU . 25.9 m -47.23 -35.9 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.627 ' CD2' HG23 ' A' ' 26' ' ' VAL . 4.3 mm? -86.67 34.29 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -154.32 161.59 41.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 120.86 29.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HD2' ' CE1' ' A' ' 24' ' ' PHE . 10.5 ttt-85 -74.52 92.3 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -72.76 165.94 23.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 m -126.1 124.91 41.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.8 t -54.02 165.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -102.91 -30.62 10.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -87.38 -75.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.3 p -65.09 -36.05 83.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.88 37.48 22.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -105.27 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.3 p -92.8 142.78 26.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 70.6 m-85 -157.48 162.15 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -83.53 -179.35 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -82.88 19.84 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -127.67 -28.74 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.8 m -90.7 -37.47 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.6 t -90.51 41.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.0 41.22 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.421 ' HB3' ' CG ' ' A' ' 73' ' ' ASN . 93.1 m-85 -117.61 115.24 24.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -79.89 132.3 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.8 m -148.77 151.84 36.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 127.04 14.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.303 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.665 ' HG3' ' HB1' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -92.16 40.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 t -114.13 -47.07 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.5 m -102.21 77.72 1.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 32.5 mtt -130.82 -58.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.24 -66.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.74 112.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -153.57 144.65 22.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.738 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -48.14 165.05 0.24 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.738 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 54.1 Cg_endo -69.73 0.55 5.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.61 -53.43 28.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.665 ' HB1' ' HG3' ' A' ' 51' ' ' LYS . . . -73.63 88.78 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -115.14 -66.66 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -82.64 -30.09 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' CG ' ' HD3' ' A' ' 51' ' ' LYS . 10.9 tt0 -36.87 145.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.3 p -127.36 133.34 50.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 19.2 m -118.82 160.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -102.53 117.6 35.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 73' ' ' ASN . 30.1 m -112.48 -178.93 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.599 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 24.1 p -93.85 152.16 19.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.92 -47.63 5.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -51.15 -44.55 61.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' THR . 92.5 m -79.01 -62.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.498 ' HB2' HG23 ' A' ' 68' ' ' VAL . 12.7 t30 -36.41 -41.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -67.07 -44.82 79.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' CYS . 88.2 m -66.01 -45.1 82.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.0 mt -60.31 -49.37 77.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.5 t -50.7 -40.43 54.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 44.04 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 m -90.32 86.47 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.431 ' HA3' ' HD2' ' A' ' 81' ' ' PRO . . . -86.77 -138.62 5.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.431 ' HD2' ' HA3' ' A' ' 80' ' ' GLY . 53.7 Cg_endo -69.73 -47.17 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.6 m -66.42 91.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.4 p -121.92 -51.81 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.452 179.993 . . . . . . . . 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 -0.346 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -83.17 109.26 17.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -149.6 176.4 10.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.82 166.09 30.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -152.29 145.57 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -85.27 -59.79 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.43 59.64 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -64.45 115.02 4.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.494 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 3.3 t80 -165.49 139.51 3.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.625 0.726 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.494 ' HD2' ' CG ' ' A' ' 9' ' ' TYR . 53.4 Cg_endo -69.79 103.76 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.9 m -98.02 136.61 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' ASN . 4.2 t-20 -174.36 149.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 3.3 t30 -37.52 145.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -114.99 176.32 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.38 37.63 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -138.44 167.7 21.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.94 143.47 56.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.415 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.4 m -92.98 18.46 9.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.04 -48.82 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 p -110.77 -17.7 13.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.0 t 71.85 42.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.06 108.12 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.4 m -54.85 145.86 18.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.127 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.597 ' CE1' ' HD3' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -100.67 123.87 45.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -116.21 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.467 HG13 ' HG ' ' A' ' 27' ' ' LEU . 3.5 p -125.47 -13.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.163 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.467 ' HG ' HG13 ' A' ' 26' ' ' VAL . 18.1 mt -123.78 -179.44 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 29' ' ' LYS . 59.5 mttt 55.65 48.78 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 28' ' ' LYS . 2.9 mmmm -34.13 119.47 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.597 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 4.3 tpp85 -39.94 97.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -94.72 149.26 21.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m -113.39 129.51 56.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.2 t -61.52 165.14 5.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -102.09 -31.27 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -87.48 -74.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.1 p -65.07 -34.06 77.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.97 38.04 31.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.44 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 33.1 m-20 -108.59 -179.19 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 19.6 m -90.57 144.43 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 90.4 m-85 -158.26 163.3 37.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.89 178.22 7.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.5 p -76.78 4.13 10.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -107.23 -30.43 8.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.0 m -90.98 -36.99 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 44.7 t -88.56 45.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -122.46 42.94 3.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 88.4 m-85 -124.08 119.26 28.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -90.71 118.49 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.6 HG21 ' CD1' ' A' ' 76' ' ' LEU . 17.4 m -138.15 150.73 68.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 111.146 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 130.33 19.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.639 ' HE2' HG11 ' A' ' 66' ' ' VAL . 14.8 ptpt -86.95 -29.67 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.2 p -58.96 -33.92 71.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.4 t -96.43 50.83 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 51' ' ' LYS . 50.0 mtt -116.09 34.78 4.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.1 -77.33 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.18 121.15 20.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.0 p -148.66 145.71 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.489 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -45.48 157.31 0.37 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 111.085 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.6 Cg_endo -69.75 -6.16 17.92 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -78.86 -56.47 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 51' ' ' LYS . . . -63.63 117.92 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 63' ' ' ARG . 46.1 mt-30 -143.01 138.29 29.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.2 OUTLIER 35.14 38.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' CG ' ' HE3' ' A' ' 51' ' ' LYS . 16.9 tp10 -94.56 131.97 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.6 p -95.08 124.56 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.639 HG11 ' HE2' ' A' ' 51' ' ' LYS . 27.7 m -121.59 163.48 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -98.15 121.42 40.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 73' ' ' ASN . 22.6 m -120.44 178.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.2 p -96.22 142.03 28.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.58 -53.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.0 t -44.39 -45.28 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' CYS . 92.9 m -79.75 -56.43 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.528 ' ND2' ' CD2' ' A' ' 47' ' ' PHE . 13.0 t30 -41.39 -38.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.78 -41.31 78.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 72' ' ' CYS . 85.3 m -69.09 -45.53 70.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.6 ' CD1' HG21 ' A' ' 49' ' ' VAL . 35.0 mt -58.37 -57.79 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -41.26 -57.04 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -57.51 168.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 t -69.32 88.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -38.67 103.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 82' ' ' SER . 53.5 Cg_endo -69.78 136.31 32.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 81' ' ' PRO . 48.4 m -36.35 -61.58 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 99.0 p -82.92 162.23 21.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.475 -179.972 . . . . . . . . 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 1.452 -0.256 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 t -168.79 116.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -158.85 114.16 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.74 162.81 32.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -69.73 147.59 50.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -150.1 117.65 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.7 124.89 1.08 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.447 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -55.62 -62.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -151.39 126.29 4.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.679 0.752 . . . . 0.0 110.973 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 96.41 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 m -69.27 121.54 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -124.74 156.54 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -64.99 129.32 39.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -77.26 170.59 16.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.87 -34.19 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.546 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -132.29 178.08 7.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.378 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.56 144.84 56.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -93.04 18.88 8.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.84 -49.17 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.542 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.24 1.1 14.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m 49.21 51.71 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.49 104.24 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 m -38.7 148.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.571 ' CD2' ' HD2' ' A' ' 30' ' ' ARG . 55.9 m-85 -92.0 151.57 20.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -147.32 -178.95 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.3 t -42.5 -49.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -71.8 -56.54 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -81.21 95.98 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -79.39 133.02 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.571 ' HD2' ' CD2' ' A' ' 24' ' ' PHE . 17.7 ttt-85 -65.99 99.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -88.22 147.81 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 p -108.82 129.41 55.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.3 t -61.83 165.02 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -106.14 -29.28 9.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -86.66 -73.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.6 p -68.02 -36.6 80.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.26 38.57 14.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.431 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 22.0 m-20 -111.88 176.75 4.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -86.37 144.41 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.593 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 83.8 m-85 -158.02 159.22 36.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 p -82.32 179.28 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 p -77.2 0.71 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.501 ' NE ' ' O ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -104.29 -31.02 9.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 94.0 m -91.7 -33.42 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -96.29 40.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -113.14 29.02 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.14 122.08 42.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 23.3 mtmt -93.75 134.55 35.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.7 151.99 61.64 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.597 0.713 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 131.54 21.36 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 64' ' ' GLU . 9.0 ptpt -86.42 33.48 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 t -114.61 -42.61 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 p -65.97 -32.68 74.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -59.78 110.72 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 39.77 -135.23 1.83 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.51 163.5 27.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -144.14 143.15 30.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.757 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -78.96 165.45 49.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.693 . . . . 0.0 111.074 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.757 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.6 Cg_endo -69.73 2.98 3.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.395 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -118.3 -53.79 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.93 85.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -127.64 -50.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.1 mmt-85 -102.57 33.97 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.433 ' HB3' ' CG ' ' A' ' 51' ' ' LYS . 2.3 tp10 -102.68 144.71 30.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.2 p -113.55 146.91 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.39 162.17 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 92.2 m-85 -99.53 126.23 45.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.7 m -124.94 175.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 15.4 p -95.51 146.04 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' HB1' ' NE2' ' A' ' 74' ' ' GLN . . . -39.0 -58.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m -40.29 -38.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 75' ' ' THR . 97.1 m -84.26 -63.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 t30 -37.06 -39.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' HB1' ' A' ' 70' ' ' ALA . 2.3 mp0 -64.32 -43.97 93.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.2 m -70.12 -48.55 57.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.3 mt -52.98 -57.97 8.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.8 m -89.91 40.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -92.11 -61.04 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.9 m 39.07 38.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.57 -132.55 4.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.62 56.31 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.301 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.3 t 55.7 40.9 30.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.0 p -106.89 92.99 4.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.468 179.999 . . . . . . . . 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 -0.339 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -151.19 135.93 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -144.43 133.95 23.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.16 163.95 24.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -157.32 158.21 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.841 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -164.53 159.09 18.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.37 105.27 0.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -138.54 145.0 40.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.423 ' HD1' HG23 ' A' ' 11' ' ' THR . 1.1 p90 -98.39 136.18 20.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.674 0.75 . . . . 0.0 110.921 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 83.32 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.375 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.423 HG23 ' HD1' ' A' ' 9' ' ' TYR . 67.6 p -112.58 85.58 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -132.61 -43.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -86.38 113.68 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -129.0 171.11 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -131.82 43.51 1.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -136.27 175.21 9.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.5 t -76.12 146.36 39.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.465 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.3 m -97.32 24.3 6.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.35 -40.18 0.19 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -123.6 -2.97 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m 56.6 46.76 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -111.85 105.84 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 m -52.74 139.69 25.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.49 103.12 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -111.0 -70.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.6 -31.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.61 -49.81 61.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -126.24 167.54 15.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.844 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -122.79 148.56 45.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -58.45 87.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -82.08 173.55 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 m -135.76 127.06 28.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.47 163.89 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -100.92 -32.05 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -86.54 -75.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.451 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.8 p -66.91 -31.67 72.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.03 37.62 56.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 16.4 m-20 -104.05 177.81 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 p -87.42 139.49 30.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 95.8 m-85 -154.48 166.82 32.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -83.88 -175.4 5.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 p -85.82 12.31 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -120.79 -24.99 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -91.99 -38.03 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -92.75 44.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -122.94 46.3 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -125.87 121.98 34.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' CG ' ' CE1' ' A' ' 67' ' ' PHE . 56.0 mtpt -86.58 121.96 29.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.401 ' CG1' ' OD1' ' A' ' 73' ' ' ASN . 32.8 m -138.39 151.43 69.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 124.02 10.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.48 ' CD ' ' HB3' ' A' ' 64' ' ' GLU . 1.7 ptmm? -79.27 -48.39 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 51' ' ' LYS . 77.9 p -40.65 -28.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.5 p -99.29 52.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.2 mtt -106.65 -53.29 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.16 -36.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.03 102.14 12.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.1 p -76.41 121.26 22.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.481 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -136.57 157.09 75.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 111.1 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.7 Cg_endo -69.8 0.07 6.2 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.657 2.238 . . . . 0.0 112.327 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -96.97 -45.99 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.44 107.97 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -135.51 105.17 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 45.91 36.1 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.48 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 5.0 tp10 -78.85 172.89 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 62.5 p -128.67 130.93 47.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.78 158.56 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.424 ' CE1' ' CG ' ' A' ' 48' ' ' LYS . 66.9 m-85 -98.54 123.77 42.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.551 HG23 ' HB2' ' A' ' 73' ' ' ASN . 27.1 m -124.13 178.95 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.3 p -92.5 151.1 20.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.15 -48.8 9.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.3 m -48.71 -42.08 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.892 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 75' ' ' THR . 68.2 m -81.82 -64.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.551 ' HB2' HG23 ' A' ' 68' ' ' VAL . 6.2 t30 -37.5 -38.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.37 -43.44 77.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.2 m -69.29 -38.86 78.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.36 -56.58 15.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.7 m -105.56 46.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 79' ' ' SER . 11.4 pttm -68.01 -44.18 77.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 43.2 m -155.3 147.64 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.49 146.43 37.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -30.66 22.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.4 m 53.61 44.75 29.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 m -47.13 -45.09 22.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.1 -0.834 . . . . 0.0 112.462 -179.973 . . . . . . . . 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 -0.335 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 p -107.66 146.57 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.378 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -133.93 99.93 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.94 141.93 7.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -134.54 157.66 45.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -140.54 148.42 40.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.27 107.41 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 mmm-85 -134.69 147.52 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.429 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 31.5 m-85 -108.53 102.31 46.77 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 11' ' ' THR . 53.8 Cg_endo -69.76 6.72 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.341 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 11' ' ' THR . 15.1 t -30.83 124.33 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -132.32 -44.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -174.82 136.28 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -116.5 132.52 56.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -140.4 37.18 1.72 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.437 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -138.96 163.61 31.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.91 151.45 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 18' ' ' THR . 21.9 m -96.7 19.87 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.183 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.1 -53.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.7 p -109.31 2.29 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.4 m 49.44 47.96 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.74 103.06 12.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 m -41.07 148.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.54 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 50.4 m-85 -92.48 102.46 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' LYS . 51.7 p -91.57 163.97 13.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 p -42.92 -25.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mp -91.44 28.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' SER . 31.9 ttmt -161.51 149.57 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.32 129.37 54.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 4.6 ttp180 -68.01 111.96 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -88.78 176.21 7.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.7 m -134.43 119.6 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.1 t -57.01 164.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -102.75 -29.81 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -87.61 -75.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.495 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.78 -33.89 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.68 37.51 30.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.495 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 15.9 m-20 -107.05 173.6 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 m -86.94 135.64 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.592 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 95.0 m-85 -146.1 162.45 37.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 p -77.0 -175.0 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.5 m -84.33 0.42 49.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 43' ' ' ARG . 12.4 mtp-105 -109.22 -20.61 12.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.3 m -97.06 -34.62 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 47.2 t -94.42 40.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -119.51 30.52 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 87.2 m-85 -111.56 112.62 24.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 67' ' ' PHE . 29.9 mttt -78.96 132.95 36.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -148.56 148.54 28.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 121.35 8.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.383 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.655 ' CD ' ' HB1' ' A' ' 61' ' ' ALA . 8.8 ptpt -73.37 2.06 8.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.424 ' O ' HG22 ' A' ' 57' ' ' THR . 47.7 t -104.18 -30.59 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 m -109.35 32.17 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.409 ' HB2' HD22 ' A' ' 76' ' ' LEU . 2.3 ptp -113.04 18.18 18.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.4 -62.25 0.57 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.57 171.32 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 52' ' ' SER . 62.0 p -138.67 152.48 48.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.63 151.69 21.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 111.106 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.22 9.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.305 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -115.79 -50.69 2.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.655 ' HB1' ' CD ' ' A' ' 51' ' ' LYS . . . -78.98 62.02 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -131.93 156.4 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? 55.3 26.51 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -118.22 140.86 49.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -108.96 117.38 34.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 m -106.82 167.1 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.171 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.41 ' CZ ' ' HE3' ' A' ' 48' ' ' LYS . 36.4 m-85 -101.56 124.5 47.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.54 171.95 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.592 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.9 p -89.63 141.57 28.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . . . -36.5 -57.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 t -41.26 -41.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 75' ' ' THR . 91.2 m -80.62 -64.26 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' CYS . 3.8 t30 -34.73 -39.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -67.1 -48.19 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 72' ' ' CYS . 19.9 m -70.05 -53.38 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 54' ' ' MET . 97.1 mt -43.61 -53.41 5.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.5 p -103.68 72.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -131.31 151.63 51.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.7 t -59.4 120.04 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -48.49 140.23 10.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 158.95 55.21 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.8 m -74.82 113.16 11.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.7 t -50.12 -54.67 19.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.478 -179.96 . . . . . . . . 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 1.451 -0.349 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 m -156.15 149.56 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -54.56 171.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.35 93.08 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 p -95.21 113.64 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 t -130.08 135.44 48.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.72 -167.92 28.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.18 144.24 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 110.925 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -108.5 152.02 41.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.721 0.772 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 156.41 63.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 12' ' ' ASN . 8.9 t -46.4 -43.54 16.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.465 ' N ' HG23 ' A' ' 11' ' ' THR . 20.9 p-10 -127.48 -54.49 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -174.23 -177.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -89.97 174.09 7.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.03 36.19 72.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -139.8 158.2 44.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 t -52.39 148.8 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.573 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.8 m -96.67 21.79 8.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.201 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.43 -55.09 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.5 p -105.43 -1.76 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.346 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m 55.29 47.02 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.35 106.24 15.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 m -45.34 148.78 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' A' ' 30' ' ' ARG . 62.4 m-85 -91.48 90.13 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -133.22 -54.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.611 ' O ' HG22 ' A' ' 26' ' ' VAL . 1.6 p -65.56 81.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' VAL . 23.2 mt 36.81 44.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -113.76 105.18 12.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -80.67 117.52 21.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 6.0 ttp180 -51.01 109.02 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.7 mtt85 -87.25 164.4 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 p -124.19 125.42 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.6 t -62.5 164.76 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -101.79 -30.33 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -87.92 -75.42 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 15.7 p -66.51 -32.72 74.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.78 37.97 37.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.542 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 10.0 m-20 -107.12 173.93 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.9 m -87.94 137.58 32.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 18' ' ' THR . 92.4 m-85 -150.44 166.89 28.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.4 p -82.54 -176.76 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -83.21 9.84 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -115.0 -30.28 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.8 m -86.99 -39.37 15.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 t -90.43 42.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -117.32 39.06 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -119.9 125.22 47.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -92.57 116.92 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 m -133.45 149.34 72.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.02 11.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.301 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.457 ' HE2' HG11 ' A' ' 66' ' ' VAL . 14.8 ptpt -73.98 -35.76 64.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -48.9 -51.75 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 m -45.48 -43.6 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 61.4 mtm -68.54 95.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.91 136.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.67 157.88 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -167.21 171.22 11.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.729 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -48.24 164.44 0.27 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 111.14 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.729 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.2 Cg_endo -69.78 0.93 4.94 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -73.83 -50.38 20.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.0 81.36 3.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -120.18 -50.0 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -111.31 44.59 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -104.08 159.07 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.5 p -132.58 122.73 25.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.457 HG11 ' HE2' ' A' ' 51' ' ' LYS . 29.0 m -113.81 170.08 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.51 131.02 46.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -132.9 166.31 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 17.3 p -86.14 143.32 28.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.74 -54.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 t -42.23 -40.49 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' THR . 75.6 m -82.97 -61.05 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' CYS . 1.7 t30 -35.92 -37.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -72.5 -44.2 62.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' CYS . 91.6 m -66.57 -44.38 82.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.51 -53.45 57.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -61.68 -43.89 98.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -52.28 -46.44 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.8 t 68.88 42.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.4 90.25 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.52 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.6 p -51.67 -50.45 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -132.8 154.88 49.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.477 -179.981 . . . . . . . . 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 1.45 -0.39 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -49.41 -46.03 47.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.816 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -55.4 134.84 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.14 131.75 5.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -170.0 127.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.3 p -145.13 113.57 6.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.32 149.41 22.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -74.86 162.13 28.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -136.89 141.41 34.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.698 0.761 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -170.35 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.538 ' O ' HG22 ' A' ' 11' ' ' THR . 72.0 m -82.8 72.81 9.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -53.31 -41.78 65.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.511 ' O ' HG22 ' A' ' 11' ' ' THR . 9.5 t-20 -69.3 137.55 53.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -142.02 175.8 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 147.65 -37.27 1.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.08 167.4 14.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.7 t -41.22 160.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.578 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 2.9 m -103.67 12.83 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.16 -38.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' SER . 24.9 p -123.59 13.19 9.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' CYS . 37.9 m 37.13 50.51 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.07 110.01 22.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 m -60.45 137.84 58.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -103.36 108.64 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.9 m -109.47 -75.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.418 HG23 HD23 ' A' ' 27' ' ' LEU . 3.8 m -130.84 -32.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD23 HG23 ' A' ' 26' ' ' VAL . 4.0 mm? -78.93 -62.5 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 139.5 34.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -113.11 122.78 48.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -59.4 94.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -79.25 177.63 8.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 m -131.02 129.47 42.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 39.9 t -66.64 164.7 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 m -105.24 -27.91 11.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -87.95 -75.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.504 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 15.5 p -67.66 -37.52 82.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.38 38.66 12.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.536 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 13.1 m-20 -107.81 177.57 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -85.52 137.06 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 87.9 m-85 -153.16 166.77 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.58 -178.17 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.3 t -80.36 2.43 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -107.49 -27.97 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.4 m -95.25 -34.09 12.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.24 35.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 p -111.36 34.9 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -112.61 117.03 31.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 8.0 mtpm? -85.55 127.2 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.497 HG21 HG11 ' A' ' 68' ' ' VAL . 30.8 m -142.92 152.54 59.06 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.572 0.701 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 130.14 18.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.625 2.217 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' HD3' ' CG ' ' A' ' 64' ' ' GLU . 4.1 ptmt -84.77 -40.75 16.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' LYS . 41.4 t -34.53 -66.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.2 t -69.22 -35.89 76.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.4 ttp -90.3 83.48 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.21 -128.79 6.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.53 154.54 20.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.3 p -86.22 161.52 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.849 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -168.77 169.1 4.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.582 0.706 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.849 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.6 Cg_endo -69.81 -21.3 33.46 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -110.3 -26.58 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 52' ' ' SER . . . -55.88 -37.06 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -39.81 -52.06 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -116.42 58.31 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' CG ' ' HD3' ' A' ' 51' ' ' LYS . 4.5 tp10 -119.01 163.99 16.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.5 p -141.5 124.8 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.6 m -120.39 161.72 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 8.7 m-85 -98.58 134.28 41.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.497 HG11 HG21 ' A' ' 49' ' ' VAL . 19.0 m -129.45 171.08 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 16.9 p -90.73 146.53 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.95 -61.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -39.72 -35.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' THR . 88.1 m -86.91 -59.61 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -41.05 -38.95 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -66.91 -40.38 87.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' CYS . 85.3 m -72.34 -43.1 64.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.1 mt -61.22 -49.56 76.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.3 t -86.48 44.63 1.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -101.8 -48.96 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.3 t -58.99 126.24 26.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.33 -141.11 4.86 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 82' ' ' SER . 54.1 Cg_endo -69.69 2.8 3.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' PRO . 84.2 p -34.14 -45.97 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.7 m 65.27 45.05 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.526 179.959 . . . . . . . . 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 -0.341 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -131.54 113.74 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.374 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -91.75 168.17 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.61 -168.21 0.59 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -146.62 110.18 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.883 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -60.27 123.33 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.17 -149.54 21.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.409 ' HD3' ' O ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 40.35 54.87 2.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -136.47 153.05 75.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.688 0.756 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 116.67 4.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 m -102.81 128.25 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -47.01 148.68 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -73.6 -51.13 17.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -157.36 171.75 19.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.19 -21.84 23.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -137.35 167.0 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.5 t -40.47 161.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.554 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 45.6 m -95.29 -9.09 34.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.08 -64.22 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.49 -8.11 39.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m 55.71 46.58 22.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' THR . . . -94.73 103.45 15.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ALA . 3.1 m -37.04 147.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 65.2 m-85 -99.21 59.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 p -114.55 -47.35 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.606 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.3 p -63.16 79.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' VAL . 1.6 mp 35.48 49.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -129.51 111.43 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -80.91 116.23 20.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 7.1 ttp180 -48.26 105.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -78.2 161.12 27.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -123.44 125.11 44.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 38.8 t -58.27 164.29 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -100.66 -32.63 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -85.43 -75.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.5 p -65.44 -35.54 81.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.25 37.4 28.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -108.3 174.85 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 m -82.21 141.59 32.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 66.7 m-85 -155.81 164.19 38.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 p -86.93 177.31 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -78.79 11.3 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -117.45 -29.22 5.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.9 m -91.44 -35.9 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 8.7 t -95.49 37.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 p -110.89 36.5 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -118.51 117.48 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 26.5 mtpp -88.17 119.9 29.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.6 m -131.29 151.41 78.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 133.04 24.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -83.09 39.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -129.52 26.88 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 p -122.67 -40.29 2.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.5 mtt -50.47 -41.36 52.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.49 44.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.58 41.94 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.6 p -41.91 109.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . . . -142.83 147.14 40.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 2.69 3.26 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.03 -36.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 58' ' ' ALA . . . -80.05 43.58 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -125.61 -38.01 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -79.44 -30.63 42.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.22 159.02 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -131.73 130.7 42.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 m -116.97 150.39 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.548 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 42.4 m-85 -93.82 128.41 40.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 73' ' ' ASN . 19.6 m -128.32 175.95 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.576 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.5 p -90.45 147.89 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.25 -54.42 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -43.78 -43.42 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 75' ' ' THR . 90.2 m -80.43 -63.01 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.9 t30 -36.5 -41.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -64.8 -44.44 89.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' CYS . 80.2 m -69.66 -49.12 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.4 mt -58.73 -54.16 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.9 t -81.18 43.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -146.75 113.89 6.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -91.18 49.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -135.87 -158.99 8.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 99.32 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -74.99 137.92 41.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 p -102.4 158.92 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.481 179.984 . . . . . . . . 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 ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.7 t -61.97 150.99 36.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.71 ' O ' HG22 ' A' ' 18' ' ' THR . 49.6 m -97.46 20.66 11.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.61 -51.87 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.63 2.63 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 m 49.46 44.74 24.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.23 102.86 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 -179.91 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -80.31 174.57 11.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -134.99 124.62 25.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.8 t -60.96 164.01 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -104.07 -30.83 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -85.69 -74.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.425 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.8 -36.5 82.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.59 37.56 19.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.486 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 7.8 m-20 -108.71 172.37 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -85.92 142.73 28.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 92.3 m-85 -153.83 163.59 39.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.3 p -79.86 -175.21 4.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 t -84.72 11.1 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -118.21 -26.6 6.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.1 m -91.23 -36.22 14.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.4 t -91.8 36.22 0.96 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -111.5 39.66 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 86.1 m-85 -119.89 123.51 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -92.71 127.51 38.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.646 ' O ' HG22 ' A' ' 66' ' ' VAL . 33.9 m -146.28 148.45 34.72 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.581 0.705 . . . . 0.0 111.159 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.66 54.82 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HE2' HG11 ' A' ' 66' ' ' VAL . 17.2 ptpt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 49' ' ' VAL . 35.3 m -109.73 162.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -98.77 132.75 43.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' A' ' 73' ' ' ASN . 35.9 m -135.13 168.65 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 17.2 p -87.67 141.51 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -36.08 -57.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.084 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -39.86 -42.12 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' THR . 77.3 m -82.4 -58.81 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' CYS . 4.0 t30 -37.67 -38.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -70.29 -44.83 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' CYS . 53.9 m -65.78 -41.5 91.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.7 t -48.14 149.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.571 ' O ' HG22 ' A' ' 18' ' ' THR . 10.9 m -95.46 21.85 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.9 -57.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 p -104.41 -2.66 25.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.0 m 58.56 40.41 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.54 103.68 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.794 0.33 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -84.82 152.55 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.4 m -113.16 123.55 50.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.9 t -52.73 165.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -100.38 -33.46 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -84.84 -74.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.483 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.9 p -66.95 -32.51 73.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.15 37.44 42.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 21.3 m-20 -105.51 175.17 5.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.82 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 57.6 p -81.34 143.52 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 86.5 m-85 -159.67 163.7 34.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -79.97 -175.28 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 m -84.11 0.91 46.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.93 -20.75 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.4 m -95.91 -37.83 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.7 t -92.84 44.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -127.1 33.36 4.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -106.38 107.93 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -74.82 118.88 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.0 m -138.18 146.38 51.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.732 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.49 14.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.2 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.361 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.7 m -126.46 169.39 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -107.92 126.56 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.69 179.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.595 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.9 p -97.71 142.31 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.94 -47.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -49.64 -48.69 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 75' ' ' THR . 72.2 m -75.59 -59.42 2.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 t30 -36.11 -38.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.97 -44.38 76.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' CYS . 94.9 m -68.22 -46.78 69.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.8 t -55.54 158.56 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.454 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 2.4 m -97.81 5.64 48.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.51 -56.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.9 p -103.87 8.47 36.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.4 p 38.87 42.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.6 100.17 11.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.918 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -89.02 153.53 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -118.32 122.05 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.5 t -57.66 164.28 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -102.67 -31.47 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -85.64 -74.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.6 p -67.05 -35.24 79.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.12 37.3 29.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.494 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 12.4 m-20 -106.32 174.28 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 p -85.77 136.77 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 86.7 m-85 -149.1 163.18 38.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -82.61 -175.78 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.5 m -85.53 12.91 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -120.68 -27.14 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.8 m -92.72 -31.01 15.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.3 t -100.19 36.54 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 p -108.14 32.58 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -119.28 124.43 46.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 24.6 mtmt -96.21 131.03 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 76' ' ' LEU . 31.8 m -138.04 150.26 66.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.22 8.9 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' HD2' ' CG1' ' A' ' 66' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.3 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.817 0.341 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 20.8 m -148.74 156.1 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.445 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 86.7 m-85 -93.77 130.18 39.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.5 HG23 ' HB2' ' A' ' 73' ' ' ASN . 23.4 m -132.05 173.16 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.604 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 21.1 p -91.21 145.36 24.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.65 -53.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -44.97 -39.55 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 75' ' ' THR . 93.3 m -84.21 -62.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.5 ' HB2' HG23 ' A' ' 68' ' ' VAL . 5.4 t30 -37.48 -39.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -67.83 -42.67 81.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 72' ' ' CYS . 73.2 m -70.54 -44.34 67.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 49' ' ' VAL . 43.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.3 t -39.78 158.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.58 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 26.8 m -92.41 -1.72 56.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.01 -61.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 22' ' ' ALA . 26.8 p -102.59 19.37 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.344 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' CYS . 83.8 p 36.38 30.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -65.92 100.18 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -87.4 -176.1 5.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.4 m -136.41 119.75 16.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.8 t -55.97 164.44 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -101.89 -31.82 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -85.9 -75.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.465 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.17 -35.9 81.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.88 37.72 25.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.465 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 26.1 m-20 -106.93 176.25 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 m -84.48 137.31 33.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 71.8 m-85 -150.89 167.51 27.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -87.93 -174.96 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.8 t -85.63 12.74 8.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -120.06 -28.33 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.8 m -91.6 -37.47 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.4 t -93.64 42.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -121.77 42.18 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -118.49 117.44 29.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -81.88 116.65 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.482 ' O ' HG22 ' A' ' 66' ' ' VAL . 18.1 m -137.5 150.76 69.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.76 19.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 179.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.8 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.881 0.372 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 49' ' ' VAL . 33.2 m -132.02 166.72 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -101.38 123.15 44.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 m -124.04 170.87 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.604 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.6 p -88.35 143.11 27.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.802 ' HB1' HE22 ' A' ' 74' ' ' GLN . . . -38.34 -51.88 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.9 t -46.55 -42.0 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 75' ' ' THR . 98.8 m -79.04 -60.43 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.1 t30 -36.38 -40.91 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.802 HE22 ' HB1' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -65.96 -46.64 77.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.0 m -68.18 -50.95 51.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.923 0.392 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -46.3 154.55 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.585 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 4.4 m -100.79 11.0 40.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.07 -37.28 0.51 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.2 p -127.31 13.68 7.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.1 t 38.74 55.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.94 111.34 23.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 ttt-85 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -76.5 167.04 22.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 m -128.12 125.27 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.39 164.03 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 m -101.97 -31.31 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -85.98 -75.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.501 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.3 p -67.19 -33.98 76.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.24 38.03 35.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.42 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.501 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 36.0 m-20 -102.5 -174.89 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 p -93.7 131.58 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 84.3 m-85 -146.54 167.38 23.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.6 p -91.86 -179.91 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 t -81.41 14.71 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -124.16 -25.22 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.4 m -94.06 -36.8 11.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.9 t -92.44 36.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -105.88 35.93 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 98.5 m-85 -112.07 118.18 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -91.61 117.42 29.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 66' ' ' VAL . 34.7 m -134.03 150.64 74.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 111.163 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 120.02 6.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.883 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 49' ' ' VAL . 34.9 m -122.15 162.78 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -100.36 112.01 24.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.4 m -112.79 175.07 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.603 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.7 p -91.84 152.56 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.591 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . . . -45.62 -47.61 14.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.5 t -50.45 -43.68 55.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 75' ' ' THR . 72.6 m -78.63 -60.52 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' CYS . 5.6 t30 -38.0 -38.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -70.36 -40.47 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 72' ' ' CYS . 88.0 m -70.46 -43.34 70.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.905 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -49.09 161.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.721 ' O ' HG22 ' A' ' 18' ' ' THR . 73.4 m -101.52 13.38 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.65 -48.96 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.91 12.68 14.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 t 44.67 30.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.95 101.61 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.782 0.325 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -92.16 160.33 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.5 m -120.73 135.03 55.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.6 t -71.14 164.74 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -104.57 -29.52 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -86.6 -74.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.471 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.5 p -66.48 -37.29 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.7 37.32 13.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.427 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.471 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 1.9 m-20 -112.57 172.9 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.1 m -81.77 147.08 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 82.5 m-85 -158.84 162.65 37.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.3 p -79.76 -175.57 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 m -83.24 -0.5 49.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -105.27 -27.53 11.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.72 -37.39 12.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 45.2 t -92.14 41.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -123.61 43.44 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -123.19 115.5 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -81.42 123.0 28.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.8 m -144.68 151.34 49.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.3 5.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.786 0.327 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.2 m -140.9 160.96 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -99.01 116.22 30.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.405 HG23 ' HB2' ' A' ' 73' ' ' ASN . 22.8 m -112.02 176.77 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.599 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.0 p -91.22 140.82 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.78 -56.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -43.1 -45.07 5.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 75' ' ' THR . 85.6 m -77.62 -63.71 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.6 t30 -35.43 -40.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -68.65 -44.69 73.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' CYS . 91.4 m -65.55 -44.46 86.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 t -52.9 160.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.64 ' O ' HG22 ' A' ' 18' ' ' THR . 33.6 m -103.71 8.18 37.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.57 -31.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' SER . 18.2 p -130.39 16.45 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' CYS . 3.8 m 33.79 54.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.67 106.83 17.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.926 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 39' ' ' SER . 6.4 ttp85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.792 0.329 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -92.93 144.8 24.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.2 p -112.09 124.51 52.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.5 t -56.14 164.88 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -104.81 -31.02 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -85.48 -73.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.3 p -65.82 -39.86 91.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.06 36.66 10.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.485 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 15.1 m-20 -109.27 174.94 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.43 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 10.8 p -84.86 142.88 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 87.9 m-85 -156.59 162.9 39.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -85.63 -177.63 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.9 p -80.7 6.06 13.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -110.83 -31.41 7.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.2 m -89.9 -35.99 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.7 t -94.62 34.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -108.25 36.18 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -123.14 127.97 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' CG ' ' CE1' ' A' ' 67' ' ' PHE . 7.0 mtpm? -97.44 136.39 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 66' ' ' VAL . 27.6 m -149.47 152.47 35.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 111.18 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 127.93 15.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.388 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.0 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.793 0.33 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 49' ' ' VAL . 22.5 m -123.47 161.29 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.637 ' CE1' ' CG ' ' A' ' 48' ' ' LYS . 84.4 m-85 -105.07 112.42 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.15 -178.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.611 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 23.5 p -97.13 143.73 27.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.41 -53.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 m -44.64 -48.09 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' THR . 83.2 m -77.18 -57.69 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' CYS . 9.9 t30 -38.03 -40.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -66.16 -44.61 83.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' CYS . 90.2 m -69.09 -48.96 61.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.9 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.9 t -62.11 153.15 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.568 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 3.3 m -99.25 27.94 4.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.172 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.25 -54.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p -107.25 -5.26 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m 61.29 39.22 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.36 118.41 35.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.899 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -99.04 161.19 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.0 m -116.04 129.26 56.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.05 164.8 9.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -99.18 -32.65 11.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -85.89 -75.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.452 ' SG ' ' CG ' ' A' ' 38' ' ' ASN . 15.4 p -68.33 -29.64 68.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.87 37.69 60.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 15.7 m-20 -104.02 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.2 p -83.14 138.43 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 87.6 m-85 -153.85 162.97 40.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -79.75 -176.04 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.4 p -85.56 7.34 23.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -117.15 -21.34 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.6 m -94.43 -38.3 11.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 45.1 t -90.98 42.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -118.48 43.64 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -117.86 118.31 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -85.52 122.07 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' VAL . 31.1 m -144.62 148.43 39.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.742 . . . . 0.0 111.135 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 134.25 27.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.464 ' HE2' ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.5 p . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG1' ' HE2' ' A' ' 51' ' ' LYS . 16.9 m -126.23 165.35 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -100.89 126.94 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.5 m -125.45 175.95 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.596 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 15.0 p -97.29 146.72 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.24 -58.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.9 m -40.18 -39.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 75' ' ' THR . 85.4 m -84.06 -60.54 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -39.59 -39.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -67.08 -43.98 81.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' CYS . 66.5 m -68.15 -40.61 82.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.53 148.67 23.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.648 ' O ' HG22 ' A' ' 18' ' ' THR . 23.4 m -93.73 22.76 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.99 -49.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.5 p -116.54 -1.68 12.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m 55.21 43.24 29.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.56 102.48 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.07 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.874 0.368 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.4 mtt-85 -89.95 147.26 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m -113.47 123.36 49.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -52.32 164.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -99.31 -31.4 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -87.98 -75.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.4 p -65.88 -31.24 72.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.77 38.34 56.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.534 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 20.1 m-20 -105.67 174.02 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.9 p -82.79 140.6 32.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 89.2 m-85 -155.49 161.71 40.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.4 p -81.98 179.65 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.2 p -81.41 11.33 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.7 mmt-85 -118.88 -23.96 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.6 m -95.59 -34.14 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.5 t -93.65 36.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -113.14 37.24 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.88 112.55 22.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -81.74 120.33 25.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.596 HG21 ' CD1' ' A' ' 76' ' ' LEU . 33.2 m -134.73 144.16 49.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.71 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 127.2 14.19 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.232 . . . . 0.0 112.355 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.4 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.13 169.01 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -106.2 121.06 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.401 HG13 HG22 ' A' ' 49' ' ' VAL . 13.3 m -121.0 179.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.576 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 21.7 p -96.17 148.83 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.09 -50.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 m -47.05 -50.8 18.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' THR . 74.0 m -75.15 -58.92 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' CYS . 14.2 t30 -35.54 -40.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -68.83 -44.72 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' CYS . 90.7 m -66.09 -44.56 84.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.596 ' CD1' HG21 ' A' ' 49' ' ' VAL . 73.5 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m120 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.8 t -38.83 146.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 18' ' ' THR . 8.6 m -98.55 26.25 5.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.99 -49.12 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.83 -16.76 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 t 74.74 36.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.8 110.01 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.825 0.345 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -85.96 -176.44 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -137.71 123.23 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.4 t -60.97 165.08 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -104.43 -26.89 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -91.0 -75.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.474 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 14.3 p -68.3 -30.93 70.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.54 39.93 48.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.572 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 40.8 m-20 -105.07 177.67 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -92.12 131.54 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 93.8 m-85 -145.63 166.74 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.03 -176.16 6.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -84.19 11.35 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -119.19 -27.48 5.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.5 m -89.83 -35.7 15.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.6 t -95.66 43.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -116.71 36.98 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.33 128.38 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.429 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 25.1 mtpp -86.39 154.99 20.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 66' ' ' VAL . 33.1 m -158.55 152.2 19.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.683 0.754 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.802 0.334 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 49' ' ' VAL . 29.1 m -118.17 150.66 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -87.98 135.41 33.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -132.22 -179.12 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 19.8 p -93.36 142.32 27.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -35.04 -52.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -46.21 -46.56 17.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' THR . 97.3 m -75.25 -61.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -37.89 -38.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -67.64 -44.06 78.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' CYS . 95.4 m -71.13 -48.85 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.934 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m120 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.0 t -44.3 152.09 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.575 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 3.2 m -96.55 27.55 3.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.25 -57.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 p -107.82 -0.6 21.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.9 m 62.68 29.13 16.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.87 107.0 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.89 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 tpp85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.453 ' CD ' ' HA ' ' A' ' 42' ' ' SER . 31.8 mtt85 -87.24 146.61 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 m -111.12 136.01 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.0 t -69.28 164.63 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 t -101.39 -31.93 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -85.45 -75.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.4 p -66.24 -35.41 80.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.26 37.22 25.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.448 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 8.0 m-20 -108.04 177.41 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 8.8 m -84.87 145.12 27.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.593 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 89.2 m-85 -158.73 168.34 27.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.4 p -88.07 -176.9 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.453 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 23.0 t -82.46 4.52 23.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -110.47 -26.92 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 77.2 m -93.94 -37.13 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.42 42.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -121.95 37.68 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.406 ' CD1' ' CG ' ' A' ' 73' ' ' ASN . 72.8 m-85 -113.58 111.32 21.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -76.85 126.3 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 66' ' ' VAL . 27.4 m -150.94 151.42 29.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.711 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.37 14.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HE3' HG11 ' A' ' 66' ' ' VAL . 5.9 ptpp? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.825 0.345 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.438 HG11 ' HE3' ' A' ' 51' ' ' LYS . 35.8 m -120.48 163.46 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -97.86 129.65 44.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.6 m -125.49 168.1 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.4 p -85.87 140.53 30.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.57 -56.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.4 t -41.99 -44.12 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 69' ' ' CYS . 92.6 m -79.32 -56.34 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.406 ' CG ' ' CD1' ' A' ' 47' ' ' PHE . 13.6 t30 -38.76 -40.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.59 -44.94 76.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' CYS . 70.9 m -65.68 -47.35 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.711 HD22 HG23 ' A' ' 23' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 t -62.28 159.45 15.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.564 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 23.7 m -100.0 4.65 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.54 -58.24 0.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -103.17 12.83 35.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.5 m 42.86 32.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.88 100.18 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.711 HG23 HD22 ' A' ' 16' ' ' ASN . 18.9 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HE ' ' CB ' ' A' ' 39' ' ' SER . 25.8 ttt-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.98 175.83 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.4 p -141.93 121.33 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' CB ' ' HG ' ' A' ' 36' ' ' CYS . 36.2 t -54.23 160.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -103.37 -26.62 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -87.39 -72.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.504 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 20.6 p -68.44 -40.6 81.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.63 35.76 9.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.504 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 3.2 m-20 -107.2 169.19 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.413 ' CB ' ' HE ' ' A' ' 30' ' ' ARG . 96.1 p -80.67 143.33 33.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 74.8 m-85 -155.1 159.4 40.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.9 p -82.02 -175.51 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.1 t -81.86 0.98 37.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -107.23 -24.12 12.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 96.8 m -99.54 -31.03 11.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.0 t -95.49 41.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -121.34 43.15 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.23 117.49 23.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -88.55 128.46 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.7 m -144.39 151.24 50.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 133.37 25.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HE2' HG11 ' A' ' 66' ' ' VAL . 14.8 ptpt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.571 HG11 ' HE2' ' A' ' 51' ' ' LYS . 19.3 m -119.91 166.94 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -100.62 129.87 46.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.9 m -129.29 179.2 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.587 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 16.4 p -97.03 141.98 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.71 -58.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -41.22 -42.8 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 75' ' ' THR . 91.5 m -80.75 -63.78 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 72' ' ' CYS . 10.6 t30 -34.21 -35.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' CYS . 34.4 mt-30 -73.5 -47.63 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' CYS . 92.2 m -65.33 -41.95 93.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.935 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.0 t -53.3 147.72 9.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.651 ' O ' HG22 ' A' ' 18' ' ' THR . 24.8 m -96.63 21.15 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.68 -48.01 0.13 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.5 p -114.56 -6.14 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 m 59.21 46.38 13.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.77 103.3 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 -179.896 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -72.76 165.94 23.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 m -126.1 124.91 41.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.8 t -54.02 165.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -102.91 -30.62 10.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -87.38 -75.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.3 p -65.09 -36.05 83.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.88 37.48 22.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -105.27 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.3 p -92.8 142.78 26.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 70.6 m-85 -157.48 162.15 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -83.53 -179.35 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -82.88 19.84 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -127.67 -28.74 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.8 m -90.7 -37.47 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.6 t -90.51 41.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.0 41.22 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' HB3' ' CG ' ' A' ' 73' ' ' ASN . 93.1 m-85 -117.61 115.24 24.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -79.89 132.3 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.8 m -148.77 151.84 36.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 127.04 14.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.303 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.485 ' HD2' ' CG1' ' A' ' 66' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 19.2 m -118.82 160.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -102.53 117.6 35.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 73' ' ' ASN . 30.1 m -112.48 -178.93 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.599 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 24.1 p -93.85 152.16 19.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.92 -47.63 5.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -51.15 -44.55 61.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' THR . 92.5 m -79.01 -62.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.498 ' HB2' HG23 ' A' ' 68' ' ' VAL . 12.7 t30 -36.41 -41.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -67.07 -44.82 79.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' CYS . 88.2 m -66.01 -45.1 82.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.94 143.47 56.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.415 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.4 m -92.98 18.46 9.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.04 -48.82 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 p -110.77 -17.7 13.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.0 t 71.85 42.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.06 108.12 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.127 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -94.72 149.26 21.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m -113.39 129.51 56.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.2 t -61.52 165.14 5.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -102.09 -31.27 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -87.48 -74.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.1 p -65.07 -34.06 77.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.97 38.04 31.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.44 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 33.1 m-20 -108.59 -179.19 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 19.6 m -90.57 144.43 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 90.4 m-85 -158.26 163.3 37.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.89 178.22 7.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.5 p -76.78 4.13 10.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -107.23 -30.43 8.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.0 m -90.98 -36.99 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 44.7 t -88.56 45.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -122.46 42.94 3.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 88.4 m-85 -124.08 119.26 28.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -90.71 118.49 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.6 HG21 ' CD1' ' A' ' 76' ' ' LEU . 17.4 m -138.15 150.73 68.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 111.146 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 130.33 19.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.639 ' HE2' HG11 ' A' ' 66' ' ' VAL . 14.8 ptpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.836 0.351 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.639 HG11 ' HE2' ' A' ' 51' ' ' LYS . 27.7 m -121.59 163.48 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -98.15 121.42 40.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 73' ' ' ASN . 22.6 m -120.44 178.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.2 p -96.22 142.03 28.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.58 -53.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.0 t -44.39 -45.28 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' CYS . 92.9 m -79.75 -56.43 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.528 ' ND2' ' CD2' ' A' ' 47' ' ' PHE . 13.0 t30 -41.39 -38.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.78 -41.31 78.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 72' ' ' CYS . 85.3 m -69.09 -45.53 70.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.6 ' CD1' HG21 ' A' ' 49' ' ' VAL . 35.0 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.895 0.378 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.56 144.84 56.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -93.04 18.88 8.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.84 -49.17 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.542 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.24 1.1 14.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m 49.21 51.71 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.49 104.24 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -88.22 147.81 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 p -108.82 129.41 55.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.3 t -61.83 165.02 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -106.14 -29.28 9.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -86.66 -73.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.6 p -68.02 -36.6 80.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.26 38.57 14.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.431 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 22.0 m-20 -111.88 176.75 4.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -86.37 144.41 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.593 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 83.8 m-85 -158.02 159.22 36.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 p -82.32 179.28 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 p -77.2 0.71 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.501 ' NE ' ' O ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -104.29 -31.02 9.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 94.0 m -91.7 -33.42 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -96.29 40.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -113.14 29.02 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.14 122.08 42.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 23.3 mtmt -93.75 134.55 35.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.7 151.99 61.64 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.597 0.713 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 131.54 21.36 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.867 0.365 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.39 162.17 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 92.2 m-85 -99.53 126.23 45.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.7 m -124.94 175.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 15.4 p -95.51 146.04 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' HB1' ' NE2' ' A' ' 74' ' ' GLN . . . -39.0 -58.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m -40.29 -38.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 75' ' ' THR . 97.1 m -84.26 -63.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 t30 -37.06 -39.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' HB1' ' A' ' 70' ' ' ALA . 2.3 mp0 -64.32 -43.97 93.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.2 m -70.12 -48.55 57.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.5 t -76.12 146.36 39.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.465 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.3 m -97.32 24.3 6.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.35 -40.18 0.19 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -123.6 -2.97 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m 56.6 46.76 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -111.85 105.84 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.809 0.338 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -82.08 173.55 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 m -135.76 127.06 28.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.47 163.89 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -100.92 -32.05 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -86.54 -75.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.451 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.8 p -66.91 -31.67 72.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.03 37.62 56.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 16.4 m-20 -104.05 177.81 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 p -87.42 139.49 30.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.592 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 95.8 m-85 -154.48 166.82 32.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -83.88 -175.4 5.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 p -85.82 12.31 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -120.79 -24.99 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -91.99 -38.03 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -92.75 44.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -122.94 46.3 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -125.87 121.98 34.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' CG ' ' CE1' ' A' ' 67' ' ' PHE . 56.0 mtpt -86.58 121.96 29.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.401 ' CG1' ' OD1' ' A' ' 73' ' ' ASN . 32.8 m -138.39 151.43 69.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 124.02 10.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.842 0.353 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.78 158.56 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.424 ' CE1' ' CG ' ' A' ' 48' ' ' LYS . 66.9 m-85 -98.54 123.77 42.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.551 HG23 ' HB2' ' A' ' 73' ' ' ASN . 27.1 m -124.13 178.95 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.592 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.3 p -92.5 151.1 20.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.15 -48.8 9.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.3 m -48.71 -42.08 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.892 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 75' ' ' THR . 68.2 m -81.82 -64.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.551 ' HB2' HG23 ' A' ' 68' ' ' VAL . 6.2 t30 -37.5 -38.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.37 -43.44 77.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.2 m -69.29 -38.86 78.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.91 151.45 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.632 ' O ' HG22 ' A' ' 18' ' ' THR . 21.9 m -96.7 19.87 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.183 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.1 -53.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.7 p -109.31 2.29 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.4 m 49.44 47.96 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.74 103.06 12.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.12 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.836 0.351 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -88.78 176.21 7.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.7 m -134.43 119.6 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.1 t -57.01 164.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -102.75 -29.81 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -87.61 -75.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.495 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.78 -33.89 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.68 37.51 30.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.495 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 15.9 m-20 -107.05 173.6 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 m -86.94 135.64 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.586 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 95.0 m-85 -146.1 162.45 37.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 p -77.0 -175.0 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.5 m -84.33 0.42 49.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 12.4 mtp-105 -109.22 -20.61 12.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.3 m -97.06 -34.62 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 47.2 t -94.42 40.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -119.51 30.52 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 87.2 m-85 -111.56 112.62 24.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 67' ' ' PHE . 29.9 mttt -78.96 132.95 36.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -148.56 148.54 28.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 121.35 8.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.383 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 m -106.82 167.1 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.171 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.41 ' CZ ' ' HE3' ' A' ' 48' ' ' LYS . 36.4 m-85 -101.56 124.5 47.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.54 171.95 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.586 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.9 p -89.63 141.57 28.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . . . -36.5 -57.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 t -41.26 -41.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 75' ' ' THR . 91.2 m -80.62 -64.26 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' CYS . 3.8 t30 -34.73 -39.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -67.1 -48.19 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 72' ' ' CYS . 19.9 m -70.05 -53.38 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.901 0.381 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 t -52.39 148.8 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.573 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.8 m -96.67 21.79 8.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.201 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.43 -55.09 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.5 p -105.43 -1.76 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.346 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m 55.29 47.02 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.35 106.24 15.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.896 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.7 mtt85 -87.25 164.4 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 p -124.19 125.42 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.6 t -62.5 164.76 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -101.79 -30.33 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -87.92 -75.42 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 15.7 p -66.51 -32.72 74.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.78 37.97 37.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.542 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 10.0 m-20 -107.12 173.93 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.9 m -87.94 137.58 32.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 18' ' ' THR . 92.4 m-85 -150.44 166.89 28.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.4 p -82.54 -176.76 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -83.21 9.84 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -115.0 -30.28 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.8 m -86.99 -39.37 15.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 t -90.43 42.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -117.32 39.06 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -119.9 125.22 47.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -92.57 116.92 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 m -133.45 149.34 72.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.02 11.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.301 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.457 ' HE2' HG11 ' A' ' 66' ' ' VAL . 14.8 ptpt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.5 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.457 HG11 ' HE2' ' A' ' 51' ' ' LYS . 29.0 m -113.81 170.08 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.51 131.02 46.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -132.9 166.31 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 17.3 p -86.14 143.32 28.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.74 -54.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 t -42.23 -40.49 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' THR . 75.6 m -82.97 -61.05 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' CYS . 1.7 t30 -35.92 -37.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -72.5 -44.2 62.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' CYS . 91.6 m -66.57 -44.38 82.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.7 t -41.22 160.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.578 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 2.9 m -103.67 12.83 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.16 -38.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' SER . 24.9 p -123.59 13.19 9.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' CYS . 37.9 m 37.13 50.51 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.07 110.01 22.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -79.25 177.63 8.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 m -131.02 129.47 42.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 39.9 t -66.64 164.7 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 m -105.24 -27.91 11.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -87.95 -75.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.504 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 15.5 p -67.66 -37.52 82.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.38 38.66 12.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.536 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 13.1 m-20 -107.81 177.57 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -85.52 137.06 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 87.9 m-85 -153.16 166.77 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.58 -178.17 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.3 t -80.36 2.43 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -107.49 -27.97 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.4 m -95.25 -34.09 12.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.24 35.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 p -111.36 34.9 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -112.61 117.03 31.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 8.0 mtpm? -85.55 127.2 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.497 HG21 HG11 ' A' ' 68' ' ' VAL . 30.8 m -142.92 152.54 59.06 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.572 0.701 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 130.14 18.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.625 2.217 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.6 m -120.39 161.72 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 8.7 m-85 -98.58 134.28 41.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.497 HG11 HG21 ' A' ' 49' ' ' VAL . 19.0 m -129.45 171.08 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 16.9 p -90.73 146.53 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.95 -61.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -39.72 -35.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' THR . 88.1 m -86.91 -59.61 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -41.05 -38.95 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -66.91 -40.38 87.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' CYS . 85.3 m -72.34 -43.1 64.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.5 t -40.47 161.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.554 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 45.6 m -95.29 -9.09 34.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.08 -64.22 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.49 -8.11 39.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m 55.71 46.58 22.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' THR . . . -94.73 103.45 15.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ALA . 3.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -78.2 161.12 27.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -123.44 125.11 44.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 38.8 t -58.27 164.29 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -100.66 -32.63 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -85.43 -75.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.5 p -65.44 -35.54 81.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.25 37.4 28.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -108.3 174.85 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 m -82.21 141.59 32.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 66.7 m-85 -155.81 164.19 38.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 p -86.93 177.31 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -78.79 11.3 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -117.45 -29.22 5.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.9 m -91.44 -35.9 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 8.7 t -95.49 37.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 p -110.89 36.5 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -118.51 117.48 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 26.5 mtpp -88.17 119.9 29.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.6 m -131.29 151.41 78.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 133.04 24.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.808 0.337 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 m -116.97 150.39 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.548 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 42.4 m-85 -93.82 128.41 40.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 73' ' ' ASN . 19.6 m -128.32 175.95 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.576 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.5 p -90.45 147.89 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.25 -54.42 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -43.78 -43.42 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 75' ' ' THR . 90.2 m -80.43 -63.01 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.9 t30 -36.5 -41.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -64.8 -44.44 89.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' CYS . 80.2 m -69.66 -49.12 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 m -123.05 127.93 49.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -101.64 144.8 29.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.89 56.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -127.66 133.15 49.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -97.74 125.92 42.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.06 65.51 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 159.25 38.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.512 ' HB2' HG22 ' A' ' 11' ' ' THR . 1.1 p90 -39.31 143.25 0.53 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.667 0.746 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -5.58 16.53 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 9' ' ' TYR . 15.3 t -95.17 167.74 11.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -129.31 156.09 44.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.76 150.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -148.01 175.34 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.44 -18.61 8.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -140.38 175.9 9.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.7 t -61.97 150.99 36.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 18' ' ' THR . 49.6 m -97.46 20.66 11.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.61 -51.87 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.63 2.63 16.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 m 49.46 44.74 24.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.23 102.86 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.9 m -41.21 149.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CD2' ' HD2' ' A' ' 30' ' ' ARG . 24.2 m-85 -94.18 94.92 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.3 p -74.61 170.2 16.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.647 HG13 HD12 ' A' ' 27' ' ' LEU . 12.7 p -43.35 -34.42 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.647 HD12 HG13 ' A' ' 26' ' ' VAL . 2.5 mp -77.66 -50.2 12.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -72.48 137.3 46.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.42 125.14 53.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.565 ' HD2' ' CD2' ' A' ' 24' ' ' PHE . 15.3 ttt180 -61.53 99.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -80.31 174.57 11.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -134.99 124.62 25.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.8 t -60.96 164.01 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -104.07 -30.83 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -85.69 -74.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.425 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.8 -36.5 82.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.59 37.56 19.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.486 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 7.8 m-20 -108.71 172.37 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -85.92 142.73 28.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 92.3 m-85 -153.83 163.59 39.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.3 p -79.86 -175.21 4.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 t -84.72 11.1 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -118.21 -26.6 6.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.1 m -91.23 -36.22 14.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.4 t -91.8 36.22 0.96 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -111.5 39.66 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 86.1 m-85 -119.89 123.51 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -92.71 127.51 38.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.646 ' O ' HG22 ' A' ' 66' ' ' VAL . 33.9 m -146.28 148.45 34.72 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.581 0.705 . . . . 0.0 111.159 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.66 54.82 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HE2' HG11 ' A' ' 66' ' ' VAL . 17.2 ptpt -92.08 -27.28 17.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.4 p -51.37 -39.17 56.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.4 p -106.71 40.68 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 34.0 ttm -103.35 -44.79 5.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.26 -38.54 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -125.52 120.85 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.093 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.1 p -91.12 132.18 36.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.97 149.12 48.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.571 0.701 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -1.19 8.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -90.44 -61.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.461 ' HB1' ' HD2' ' A' ' 51' ' ' LYS . . . -88.64 102.7 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -120.11 -56.96 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -103.81 42.18 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -97.5 155.13 17.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 p -131.53 118.69 20.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 49' ' ' VAL . 35.3 m -109.73 162.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -98.77 132.75 43.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' A' ' 73' ' ' ASN . 35.9 m -135.13 168.65 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 17.2 p -87.67 141.51 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -36.08 -57.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.084 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -39.86 -42.12 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' THR . 77.3 m -82.4 -58.81 2.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' CYS . 4.0 t30 -37.67 -38.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -70.29 -44.83 67.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' CYS . 53.9 m -65.78 -41.5 91.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.99 -49.49 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.3 t -48.98 -62.03 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -83.82 151.96 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.3 p -103.39 163.46 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.75 -98.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 165.37 31.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.252 . . . . 0.0 112.376 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -73.8 111.54 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.2 t -43.51 119.62 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.503 -179.951 . . . . . . . . 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 -0.296 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -90.77 104.51 17.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -137.49 109.04 6.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.69 142.94 12.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 m -41.57 158.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -64.36 -51.44 63.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.71 -62.57 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -53.43 123.51 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -99.27 143.69 26.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.726 0.774 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 121.95 8.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.37 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.3 p -139.42 146.35 40.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.38 143.88 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -83.84 165.36 18.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -98.69 178.13 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.9 -37.7 3.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.537 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.24 152.8 39.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.7 t -48.14 149.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.571 ' O ' HG22 ' A' ' 18' ' ' THR . 10.9 m -95.46 21.85 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.9 -57.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 p -104.41 -2.66 25.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.0 m 58.56 40.41 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.54 103.68 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 m -41.31 149.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.537 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 64.8 m-85 -88.94 95.99 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -77.71 -174.92 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 p -59.39 -23.54 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.24 24.27 11.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' CE ' ' NH2' ' A' ' 43' ' ' ARG . 47.7 mttt -139.32 107.89 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -87.56 117.04 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.537 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 7.2 ttp180 -55.57 97.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -84.82 152.55 23.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.4 m -113.16 123.55 50.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.9 t -52.73 165.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -100.38 -33.46 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -84.84 -74.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.483 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.9 p -66.95 -32.51 73.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.15 37.44 42.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 21.3 m-20 -105.51 175.17 5.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.82 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 57.6 p -81.34 143.52 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 86.5 m-85 -159.67 163.7 34.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -79.97 -175.28 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 m -84.11 0.91 46.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.485 ' NH2' ' CE ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -109.93 -20.75 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.4 m -95.91 -37.83 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 36.7 t -92.84 44.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -127.1 33.36 4.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -106.38 107.93 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -74.82 118.88 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.0 m -138.18 146.38 51.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.732 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.49 14.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 -28.05 33.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.3 t -60.39 -45.33 93.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.7 p -92.56 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.9 ttm -107.04 -57.18 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.24 -78.14 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.56 83.7 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -58.88 132.44 53.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.728 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -101.5 164.56 15.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.621 0.724 . . . . 0.0 111.094 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.728 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.5 Cg_endo -69.8 -17.44 37.37 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.1 pm0 -108.18 -23.48 11.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.27 82.53 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -115.51 -48.19 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -117.07 42.96 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -101.99 144.35 30.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.2 p -118.49 137.04 53.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.7 m -126.46 169.39 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -107.92 126.56 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.3 m -121.69 179.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.595 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.9 p -97.71 142.31 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.94 -47.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -49.64 -48.69 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 75' ' ' THR . 72.2 m -75.59 -59.42 2.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 t30 -36.11 -38.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.97 -44.38 76.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' CYS . 94.9 m -68.22 -46.78 69.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.0 mt -55.48 -56.88 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.0 t -59.69 -49.01 79.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -84.96 94.83 8.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.1 p -116.27 97.12 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.51 -95.09 1.52 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 90.82 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -105.84 42.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -152.51 129.85 11.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.453 179.991 . . . . . . . . 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 1.452 -0.278 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -48.59 147.6 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -167.7 140.31 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.91 177.94 15.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 t -130.99 142.43 50.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -123.3 139.15 54.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.99 144.66 6.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -163.75 146.98 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -148.65 134.68 9.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.709 0.766 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 169.19 19.44 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.74 2.293 . . . . 0.0 112.371 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -174.33 121.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -172.22 128.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -40.95 104.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.475 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 20.8 p90 -88.19 95.58 10.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.484 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . -144.07 42.15 1.07 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -142.28 170.99 14.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.8 t -55.54 158.56 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.454 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 2.4 m -97.81 5.64 48.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.51 -56.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.9 p -103.87 8.47 36.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.4 p 38.87 42.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.6 100.17 11.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.3 m -38.79 147.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE2' ' HD2' ' A' ' 30' ' ' ARG . 37.0 m-85 -92.79 104.04 16.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 t -73.23 178.81 4.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.612 HG23 HD23 ' A' ' 27' ' ' LEU . 3.3 m -54.01 -32.33 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.612 HD23 HG23 ' A' ' 26' ' ' VAL . 2.2 mm? -81.42 -57.78 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -58.86 114.77 2.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -91.62 115.35 27.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.572 ' HD2' ' CE2' ' A' ' 24' ' ' PHE . 8.3 ttp180 -48.26 111.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -89.02 153.53 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -118.32 122.05 41.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.5 t -57.66 164.28 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -102.67 -31.47 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -85.64 -74.96 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.6 p -67.05 -35.24 79.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.12 37.3 29.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.494 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 12.4 m-20 -106.32 174.28 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 p -85.77 136.77 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 86.7 m-85 -149.1 163.18 38.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -82.61 -175.78 5.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.5 m -85.53 12.91 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -120.68 -27.14 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.8 m -92.72 -31.01 15.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.3 t -100.19 36.54 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 p -108.14 32.58 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -119.28 124.43 46.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 24.6 mtmt -96.21 131.03 43.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 76' ' ' LEU . 31.8 m -138.04 150.26 66.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.22 8.9 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' HD2' ' CG1' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -79.49 -46.94 16.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.6 p -54.73 -43.28 72.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 p -101.49 39.52 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.41 ' HG2' HD22 ' A' ' 76' ' ' LEU . 25.2 ttm -92.52 -59.65 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -159.66 -38.63 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.52 89.12 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 76.8 p -57.81 103.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.87 145.64 30.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.697 . . . . 0.0 111.11 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -16.25 37.53 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 4.2 pt-20 -86.5 -29.33 22.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 60' ' ' GLU . . . -115.56 117.63 30.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -140.44 135.12 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 44.93 41.68 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -106.86 161.03 15.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.3 p -119.29 153.07 35.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 20.8 m -148.74 156.1 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.445 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 86.7 m-85 -93.77 130.18 39.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.5 HG23 ' HB2' ' A' ' 73' ' ' ASN . 23.4 m -132.05 173.16 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.604 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 21.1 p -91.21 145.36 24.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.65 -53.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -44.97 -39.55 5.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 75' ' ' THR . 93.3 m -84.21 -62.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.5 ' HB2' HG23 ' A' ' 68' ' ' VAL . 5.4 t30 -37.48 -39.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -67.83 -42.67 81.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 72' ' ' CYS . 73.2 m -70.54 -44.34 67.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 49' ' ' VAL . 43.5 mt -61.09 -60.1 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 76' ' ' LEU . 38.3 t -35.3 -44.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -40.81 148.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 m -120.4 170.37 9.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.69 -177.65 36.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 9.67 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.345 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 83.0 p -71.77 67.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.6 m -150.09 138.61 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.479 -179.987 . . . . . . . . 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 -0.302 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -111.57 128.91 56.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -102.83 130.4 49.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.33 73.08 1.49 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -98.6 40.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -72.22 163.45 27.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.9 102.4 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -139.72 132.29 28.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.818 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -155.05 151.61 23.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.657 0.741 . . . . 0.0 110.975 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 131.8 22.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.629 2.219 . . . . 0.0 112.348 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.2 t -43.2 140.12 1.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -134.39 -39.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -51.05 -45.55 61.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -47.98 172.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.64 -33.9 2.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.0 163.11 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.3 t -39.78 158.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.58 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 26.8 m -92.41 -1.72 56.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.01 -61.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 22' ' ' ALA . 26.8 p -102.59 19.37 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.344 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' CYS . 83.8 p 36.38 30.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.504 ' HB1' ' HE3' ' A' ' 28' ' ' LYS . . . -65.92 100.18 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -51.65 146.29 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CE2' ' HD2' ' A' ' 30' ' ' ARG . 11.4 m-85 -108.48 109.73 21.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 m -129.01 -68.47 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.592 HG13 ' N ' ' A' ' 27' ' ' LEU . 7.5 p -134.79 -51.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.592 ' N ' HG13 ' A' ' 26' ' ' VAL . 20.7 mt -87.94 38.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' HE3' ' HB1' ' A' ' 22' ' ' ALA . 2.9 tppt? -173.49 125.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -109.35 129.93 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.568 ' HD2' ' CE2' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -73.7 105.82 5.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -87.4 -176.1 5.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.4 m -136.41 119.75 16.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.8 t -55.97 164.44 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -101.89 -31.82 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -85.9 -75.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.465 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.17 -35.9 81.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.88 37.72 25.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.465 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 26.1 m-20 -106.93 176.25 5.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 m -84.48 137.31 33.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 71.8 m-85 -150.89 167.51 27.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -87.93 -174.96 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.8 t -85.63 12.74 8.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -120.06 -28.33 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.8 m -91.6 -37.47 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.4 t -93.64 42.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -121.77 42.18 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -118.49 117.44 29.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -81.88 116.65 21.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.482 ' O ' HG22 ' A' ' 66' ' ' VAL . 18.1 m -137.5 150.76 69.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.627 0.727 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.76 19.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 52' ' ' SER . 12.1 ptpt -84.39 -34.43 23.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 36.1 p -38.41 -51.28 1.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.8 m -54.46 -54.96 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -54.86 143.65 25.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.12 -122.57 16.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.74 113.22 13.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.1 p -39.26 129.23 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -123.25 158.45 58.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 111.061 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 54.1 Cg_endo -69.76 1.28 4.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.334 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -97.59 -44.46 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.05 117.48 30.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -120.47 -44.94 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.14 25.06 5.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -65.59 166.13 11.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.8 p -131.6 136.45 47.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 49' ' ' VAL . 33.2 m -132.02 166.72 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -101.38 123.15 44.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.0 m -124.04 170.87 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.604 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.6 p -88.35 143.11 27.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.802 ' HB1' HE22 ' A' ' 74' ' ' GLN . . . -38.34 -51.88 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.9 t -46.55 -42.0 15.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 75' ' ' THR . 98.8 m -79.04 -60.43 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.1 t30 -36.38 -40.91 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.802 HE22 ' HB1' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -65.96 -46.64 77.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.0 m -68.18 -50.95 51.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 mt -51.65 -57.37 9.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.7 p -43.06 -43.57 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -73.08 174.46 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -45.93 -52.24 11.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.79 84.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -22.47 32.28 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.383 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 83' ' ' SER . 37.7 t -107.89 149.87 27.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 82' ' ' SER . 80.5 p -36.53 -44.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.455 -179.92 . . . . . . . . 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 1.452 -0.289 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -60.56 161.83 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -134.03 157.84 45.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.73 -143.35 5.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -163.18 160.59 24.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.836 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -123.12 119.19 29.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.04 78.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -63.13 176.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -57.41 137.96 81.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -175.86 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.4 p -120.17 137.95 53.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -169.96 154.97 5.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -51.59 165.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -78.65 -60.41 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.61 -37.14 3.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.18 166.73 22.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -46.3 154.55 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.585 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 4.4 m -100.79 11.0 40.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.07 -37.28 0.51 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.2 p -127.31 13.68 7.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.808 0.337 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.1 t 38.74 55.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.94 111.34 23.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 m -61.99 138.04 58.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD2' ' HD2' ' A' ' 30' ' ' ARG . 1.4 m-85 -99.18 96.95 8.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -134.9 -61.4 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.509 HG23 ' N ' ' A' ' 27' ' ' LEU . 35.6 m -79.57 -45.71 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' N ' HG23 ' A' ' 26' ' ' VAL . 12.7 mt -147.85 -175.01 4.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' LYS . 6.5 mtpp 63.85 54.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' LYS . 58.0 mttp -33.59 130.23 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 24' ' ' PHE . 17.9 ttt-85 -55.85 91.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -76.5 167.04 22.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.5 m -128.12 125.27 38.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.8 t -59.39 164.03 3.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 m -101.97 -31.31 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -85.98 -75.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.501 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.3 p -67.19 -33.98 76.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.24 38.03 35.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.42 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.501 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 36.0 m-20 -102.5 -174.89 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.349 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 p -93.7 131.58 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 84.3 m-85 -146.54 167.38 23.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.6 p -91.86 -179.91 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 t -81.41 14.71 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -124.16 -25.22 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.4 m -94.06 -36.8 11.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 17.9 t -92.44 36.43 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -105.88 35.93 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 98.5 m-85 -112.07 118.18 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -91.61 117.42 29.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 66' ' ' VAL . 34.7 m -134.03 150.64 74.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 111.163 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 120.02 6.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 64' ' ' GLU . 9.1 ptpt -75.32 -30.49 60.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.3 p -50.43 -29.31 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.799 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.0 m -102.37 63.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 56' ' ' ALA . 5.4 mmt -136.54 133.78 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 54' ' ' MET . . . 35.21 -94.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 54' ' ' MET . . . -109.82 130.6 55.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.6 p -69.77 152.58 44.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.07 152.11 76.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.95 35.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -84.36 -54.3 4.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.47 95.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -136.1 105.15 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 71.96 40.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' HB3' ' CG ' ' A' ' 51' ' ' LYS . 2.9 tm-20 -109.43 137.35 47.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.9 p -104.82 132.61 50.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 49' ' ' VAL . 34.9 m -122.15 162.78 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -100.36 112.01 24.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.4 m -112.79 175.07 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.603 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.7 p -91.84 152.56 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.591 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . . . -45.62 -47.61 14.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.5 t -50.45 -43.68 55.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 75' ' ' THR . 72.6 m -78.63 -60.52 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' CYS . 5.6 t30 -38.0 -38.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 78' ' ' LYS . 61.8 mm-40 -70.36 -40.47 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 72' ' ' CYS . 88.0 m -70.46 -43.34 70.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.5 mt -63.48 -49.01 75.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -69.93 -51.37 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 74' ' ' GLN . 48.5 tttm -47.47 127.33 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.8 p -78.15 132.49 37.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.2 163.19 15.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.439 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 82' ' ' SER . 54.0 Cg_endo -69.72 3.55 2.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 81' ' ' PRO . 23.0 m -32.8 131.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -134.16 99.74 4.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.438 -179.97 . . . . . . . . 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 1.451 -0.306 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -59.32 127.31 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -156.96 131.53 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.23 170.37 21.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -109.94 161.98 14.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -88.1 171.2 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.71 135.06 2.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -156.43 170.92 21.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.344 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.411 ' CE2' ' CG2' ' A' ' 11' ' ' THR . 10.3 p90 -121.78 139.43 30.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.74 54.89 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.411 ' CG2' ' CE2' ' A' ' 9' ' ' TYR . 75.6 p -149.61 121.33 8.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -100.15 -50.3 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -139.55 165.66 26.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -120.13 39.91 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . -113.14 52.37 0.65 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -141.75 168.22 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.5 t -49.09 161.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 18' ' ' THR . 73.4 m -101.52 13.38 35.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.65 -48.96 0.13 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.91 12.68 14.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 t 44.67 30.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.95 101.61 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 m -46.46 149.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' A' ' 30' ' ' ARG . 59.9 m-85 -101.74 92.2 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 26' ' ' VAL . 2.7 m -77.79 157.31 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' SER . 7.5 p -34.08 -41.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' N ' HG13 ' A' ' 26' ' ' VAL . 1.6 tt -66.67 -55.9 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' CE ' ' HB2' ' A' ' 41' ' ' CYS . 23.6 tttt -71.89 131.02 42.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -100.37 119.18 38.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 24' ' ' PHE . 6.7 ttp180 -57.15 117.45 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.2 mtp85 -92.16 160.33 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.5 m -120.73 135.03 55.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.6 t -71.14 164.74 25.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -104.57 -29.52 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -86.6 -74.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.5 p -66.48 -37.29 84.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.7 37.32 13.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.427 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.471 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 1.9 m-20 -112.57 172.9 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.1 m -81.77 147.08 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 82.5 m-85 -158.84 162.65 37.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.49 ' HB2' ' CE ' ' A' ' 28' ' ' LYS . 25.3 p -79.76 -175.57 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 m -83.24 -0.5 49.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -105.27 -27.53 11.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.72 -37.39 12.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 45.2 t -92.14 41.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -123.61 43.44 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -123.19 115.5 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -81.42 123.0 28.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.8 m -144.68 151.34 49.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.3 5.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.865 ' HD2' ' HB1' ' A' ' 61' ' ' ALA . 13.6 ptpt -49.94 -33.12 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.5 p -63.64 161.38 14.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.4 m 62.43 35.6 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.1 mtm -128.06 42.53 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.48 -97.19 1.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.6 95.91 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 111.072 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 p -136.82 -179.27 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.02 154.74 49.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 0.45 5.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.62 2.213 . . . . 0.0 112.386 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.91 -49.86 7.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.865 ' HB1' ' HD2' ' A' ' 51' ' ' LYS . . . -73.96 71.69 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -106.11 -58.92 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -61.46 -31.94 71.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.71 153.38 10.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.7 p -135.83 157.34 47.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.2 m -140.9 160.96 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -99.01 116.22 30.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.405 HG23 ' HB2' ' A' ' 73' ' ' ASN . 22.8 m -112.02 176.77 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.599 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 19.0 p -91.22 140.82 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.78 -56.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -43.1 -45.07 5.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 75' ' ' THR . 85.6 m -77.62 -63.71 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.6 t30 -35.43 -40.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -68.65 -44.69 73.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' CYS . 91.4 m -65.55 -44.46 86.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.3 mt -59.47 -55.83 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.7 m -83.82 48.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.78 86.2 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 97.0 p -55.92 176.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.67 -152.69 19.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 172.71 12.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -78.94 103.44 8.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t -104.16 -56.01 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.488 -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 -0.329 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t 37.69 42.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -116.88 106.7 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.57 47.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -94.14 82.98 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -112.15 169.17 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.34 125.13 1.93 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -105.17 167.09 9.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -130.49 144.94 55.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 171.81 13.79 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.644 2.229 . . . . 0.0 112.355 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.7 m -133.19 122.07 23.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.64 41.9 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -129.21 83.49 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -113.71 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.467 ' C ' ' ND2' ' A' ' 16' ' ' ASN . . . 69.53 37.12 77.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.467 ' ND2' ' C ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -138.24 161.66 36.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 t -52.9 160.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 18' ' ' THR . 33.6 m -103.71 8.18 37.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.57 -31.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' SER . 18.2 p -130.39 16.45 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' CYS . 3.8 m 33.79 54.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.67 106.83 17.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -49.96 141.09 11.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.422 ' CD2' ' HD2' ' A' ' 30' ' ' ARG . 50.1 m-85 -91.88 114.59 27.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.6 m -103.56 175.43 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 HD12 ' A' ' 27' ' ' LEU . 2.9 m -49.04 -18.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.567 HD12 HG23 ' A' ' 26' ' ' VAL . 2.3 mp -91.97 -55.91 3.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 103.8 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -74.64 118.53 17.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 39' ' ' SER . 6.4 ttp85 -55.1 109.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -92.93 144.8 24.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.2 p -112.09 124.51 52.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.5 t -56.14 164.88 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -104.81 -31.02 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -85.48 -73.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.3 p -65.82 -39.86 91.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.06 36.66 10.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.485 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 15.1 m-20 -109.27 174.94 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.43 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 10.8 p -84.86 142.88 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 87.9 m-85 -156.59 162.9 39.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -85.63 -177.63 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.9 p -80.7 6.06 13.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -110.83 -31.41 7.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.2 m -89.9 -35.99 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.7 t -94.62 34.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -108.25 36.18 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -123.14 127.97 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' CG ' ' CE1' ' A' ' 67' ' ' PHE . 7.0 mtpm? -97.44 136.39 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 66' ' ' VAL . 27.6 m -149.47 152.47 35.44 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 111.18 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 127.93 15.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.388 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.501 ' CD ' ' HB3' ' A' ' 64' ' ' GLU . 15.8 ptmt -81.34 -30.87 33.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.3 p -56.25 -36.16 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.8 p -93.35 41.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.456 ' CG ' ' HA ' ' A' ' 51' ' ' LYS . 1.9 ppp? -173.09 173.8 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.86 -159.69 1.73 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.457 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.49 117.68 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 111.068 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.2 p -68.58 103.67 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.72 149.0 39.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 0.0 111.089 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.452 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 53.8 Cg_endo -69.76 -0.17 6.52 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -94.99 -50.11 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.49 112.73 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 16.7 mt-30 -145.12 121.52 10.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 57.42 49.75 12.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.501 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 4.5 tp10 -109.63 164.22 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.0 p -122.23 125.87 46.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 49' ' ' VAL . 22.5 m -123.47 161.29 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.637 ' CE1' ' CG ' ' A' ' 48' ' ' LYS . 84.4 m-85 -105.07 112.42 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.15 -178.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.611 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 23.5 p -97.13 143.73 27.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -33.41 -53.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 m -44.64 -48.09 10.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' THR . 83.2 m -77.18 -57.69 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' CYS . 9.9 t30 -38.03 -40.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -66.16 -44.61 83.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' CYS . 90.2 m -69.09 -48.96 61.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.07 -53.27 56.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -83.45 48.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.98 86.78 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -101.25 122.18 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.71 144.07 10.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.74 36.19 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 m -107.89 -43.51 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -160.68 159.95 30.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.521 -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 1.45 -0.374 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -146.65 123.48 11.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 t -77.82 -44.92 25.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.96 116.94 3.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 m -136.42 175.02 9.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 p -173.25 165.3 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.41 85.5 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.553 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -156.14 122.04 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 8' ' ' ARG . 62.7 m-85 -158.76 148.58 15.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.683 0.754 . . . . 0.0 110.909 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -171.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.3 p -89.27 97.72 11.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.13 81.39 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.23 130.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -114.25 178.31 4.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 153.64 -38.64 0.71 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -118.66 174.41 6.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.9 t -62.11 153.15 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.568 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 3.3 m -99.25 27.94 4.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.172 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.25 -54.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.0 p -107.25 -5.26 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m 61.29 39.22 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.36 118.41 35.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.6 m -64.12 145.38 56.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.54 ' CE2' ' HG3' ' A' ' 30' ' ' ARG . 3.6 m-85 -93.77 100.87 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.1 t -107.09 -67.84 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -133.91 -56.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.771 ' H ' HD12 ' A' ' 27' ' ' LEU . 4.5 mp -60.74 -58.92 6.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -85.48 130.26 34.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -111.23 119.3 38.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 8.2 ttp85 -44.44 98.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -99.04 161.19 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.0 m -116.04 129.26 56.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.05 164.8 9.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -99.18 -32.65 11.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -85.89 -75.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.452 ' SG ' ' CG ' ' A' ' 38' ' ' ASN . 15.4 p -68.33 -29.64 68.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.87 37.69 60.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 15.7 m-20 -104.02 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.2 p -83.14 138.43 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 87.6 m-85 -153.85 162.97 40.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -79.75 -176.04 5.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.4 p -85.56 7.34 23.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -117.15 -21.34 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.6 m -94.43 -38.3 11.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 45.1 t -90.98 42.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -118.48 43.64 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -117.86 118.31 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -85.52 122.07 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' VAL . 31.1 m -144.62 148.43 39.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.742 . . . . 0.0 111.135 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 134.25 27.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.464 ' HE2' ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -91.39 30.39 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 t -112.47 -42.54 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' MET . 12.8 t -67.32 -39.66 85.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 53' ' ' SER . 43.8 mtt -35.67 -49.71 0.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.0 145.5 8.19 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.03 138.87 14.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 58' ' ' ALA . 14.8 t -169.36 167.57 10.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 57' ' ' THR . . . -36.49 144.41 0.27 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.577 0.703 . . . . 0.0 111.081 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.62 5.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -65.1 -46.04 82.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 51' ' ' LYS . . . -89.7 80.87 6.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -130.15 139.97 50.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 5.3 mmp_? 62.0 35.11 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 65' ' ' THR . 29.4 tp10 -106.68 157.69 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.413 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 68.5 p -124.05 128.48 49.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG1' ' HE2' ' A' ' 51' ' ' LYS . 16.9 m -126.23 165.35 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -100.89 126.94 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.5 m -125.45 175.95 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 15.0 p -97.29 146.72 24.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.24 -58.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.9 m -40.18 -39.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 75' ' ' THR . 85.4 m -84.06 -60.54 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -39.59 -39.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -67.08 -43.98 81.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' CYS . 66.5 m -68.15 -40.61 82.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.22 -49.24 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.2 t -90.54 45.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -105.97 151.42 24.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.9 p -111.65 100.22 8.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.55 170.46 25.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 168.36 21.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.22 . . . . 0.0 112.371 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.7 p -162.61 122.91 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.4 m -151.23 154.03 36.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.473 -179.974 . . . . . . . . 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 -0.337 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -106.46 108.04 19.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.954 0.407 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -145.67 137.5 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.38 -163.62 12.11 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 t -97.49 41.18 1.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -40.24 102.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.62 122.57 2.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.455 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -121.36 161.8 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -113.09 138.1 22.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 110.947 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.6 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 11' ' ' THR . 9.1 t -78.49 105.79 10.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -39.99 -64.03 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -159.33 179.74 8.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -94.66 174.86 6.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.81 -38.3 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -137.31 170.4 16.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.53 148.67 23.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 18' ' ' THR . 23.4 m -93.73 22.76 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.99 -49.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.5 p -116.54 -1.68 12.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m 55.21 43.24 29.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.56 102.48 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.07 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -40.27 147.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 45.4 m-85 -92.06 128.18 37.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.0 p -106.11 -177.81 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 27' ' ' LEU . 27.2 m -51.76 -43.2 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' HG23 ' A' ' 26' ' ' VAL . 52.0 mt -74.63 -59.19 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.32 89.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 121.01 18.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 10.6 ttp180 -49.16 108.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.4 mtt-85 -89.95 147.26 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m -113.47 123.36 49.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -52.32 164.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -99.31 -31.4 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -87.98 -75.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.494 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.4 p -65.88 -31.24 72.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.77 38.34 56.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.534 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 20.1 m-20 -105.67 174.02 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.9 p -82.79 140.6 32.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.586 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 89.2 m-85 -155.49 161.71 40.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.4 p -81.98 179.65 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.2 p -81.41 11.33 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.7 mmt-85 -118.88 -23.96 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.6 m -95.59 -34.14 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 39.5 t -93.65 36.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -113.14 37.24 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.88 112.55 22.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -81.74 120.33 25.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.596 HG21 ' CD1' ' A' ' 76' ' ' LEU . 33.2 m -134.73 144.16 49.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.71 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 127.2 14.19 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.232 . . . . 0.0 112.355 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.676 ' HD2' ' HB1' ' A' ' 61' ' ' ALA . 12.1 ptpt -79.68 -34.18 40.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -47.85 -23.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.4 p -109.01 56.73 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.8 mtt -127.7 76.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.28 -95.06 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.41 103.48 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.8 t -72.11 147.7 46.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.81 151.59 48.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 1.07 4.78 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.06 -23.69 12.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 51' ' ' LYS . . . -117.07 93.33 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ARG . 27.2 mt-30 -129.5 153.35 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLN . 67.0 mtt180 37.11 39.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HB3' ' CG ' ' A' ' 51' ' ' LYS . 40.8 tp10 -107.34 154.67 20.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.4 p -122.44 138.1 54.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.13 169.01 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -106.2 121.06 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.401 HG13 HG22 ' A' ' 49' ' ' VAL . 13.3 m -121.0 179.67 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.586 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 21.7 p -96.17 148.83 22.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.09 -50.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 m -47.05 -50.8 18.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' THR . 74.0 m -75.15 -58.92 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' CYS . 14.2 t30 -35.54 -40.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -68.83 -44.72 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' CYS . 90.7 m -66.09 -44.56 84.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.596 ' CD1' HG21 ' A' ' 49' ' ' VAL . 73.5 mt -60.77 -55.87 27.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.2 t -42.08 -60.56 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -64.55 137.27 57.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 t -86.88 130.2 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 165.36 131.32 1.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 165.59 30.38 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 92.1 p -79.23 126.98 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.4 m -81.52 -52.91 6.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.513 179.975 . . . . . . . . 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 1.45 -0.379 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -60.07 96.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 p -99.81 117.64 34.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.69 77.79 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -111.65 150.61 29.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.39 . . . . 0.0 110.822 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -73.94 -44.51 54.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.53 132.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -156.56 169.24 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -141.51 140.01 19.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 110.92 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -9.9 27.24 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.248 . . . . 0.0 112.337 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.7 p -58.04 118.72 5.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.489 ' ND2' ' H ' ' A' ' 13' ' ' ASN . 7.7 t-20 -121.8 159.76 26.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.489 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 16.5 t-20 -72.38 108.12 5.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -57.01 -179.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.49 -31.3 4.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -125.13 150.29 47.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.8 t -38.83 146.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 18' ' ' THR . 8.6 m -98.55 26.25 5.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.99 -49.12 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.83 -16.76 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 t 74.74 36.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.8 110.01 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.6 m -59.12 150.62 24.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.56 ' CE1' ' HD2' ' A' ' 30' ' ' ARG . 1.0 OUTLIER -106.3 134.76 48.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 t -129.94 -67.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -130.31 -69.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.96 -67.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -60.69 128.44 36.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -112.67 129.61 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 24' ' ' PHE . 16.3 ttt-85 -67.64 101.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -85.96 -176.44 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.3 m -137.71 123.23 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.4 t -60.97 165.08 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -104.43 -26.89 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -91.0 -75.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.474 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 14.3 p -68.3 -30.93 70.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.54 39.93 48.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.572 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 40.8 m-20 -105.07 177.67 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -92.12 131.54 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 93.8 m-85 -145.63 166.74 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.03 -176.16 6.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -84.19 11.35 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -119.19 -27.48 5.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.5 m -89.83 -35.7 15.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 40.6 t -95.66 43.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -116.71 36.98 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.33 128.38 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 25.1 mtpp -86.39 154.99 20.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 66' ' ' VAL . 33.1 m -158.55 152.2 19.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.683 0.754 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -70.27 -17.08 63.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 t -85.76 34.0 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -132.29 -52.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -92.65 140.71 29.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.13 -176.01 52.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.32 37.01 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 t -44.59 158.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.782 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -67.88 166.63 21.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 111.087 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.782 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 54.3 Cg_endo -69.77 -1.09 7.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.622 2.215 . . . . 0.0 112.384 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.491 ' HG2' ' HB3' ' A' ' 58' ' ' ALA . 16.1 pt-20 -84.43 -42.43 15.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' GLU . . . -81.26 76.03 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -100.99 -55.31 2.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -93.48 39.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -98.64 153.12 18.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.7 p -131.29 124.8 31.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.131 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 49' ' ' VAL . 29.1 m -118.17 150.66 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -87.98 135.41 33.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -132.22 -179.12 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 19.8 p -93.36 142.32 27.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -35.04 -52.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -46.21 -46.56 17.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' THR . 97.3 m -75.25 -61.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -37.89 -38.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -67.64 -44.06 78.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' CYS . 95.4 m -71.13 -48.85 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.57 -48.06 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.9 p -88.07 54.06 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -134.22 149.3 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.4 m -89.74 108.9 19.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 164.74 -95.05 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.23 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.1 t -83.52 -55.16 4.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -126.12 136.28 52.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.484 -179.97 . . . . . . . . 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 1.45 -0.38 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -107.01 100.96 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.367 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 m -70.68 -62.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.75 84.13 0.12 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -162.08 120.95 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 p -99.1 166.34 11.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.62 108.46 0.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.453 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -147.17 163.85 35.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.364 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -84.85 138.95 37.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.717 0.77 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 11' ' ' THR . 53.8 Cg_endo -69.8 5.71 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.718 2.279 . . . . 0.0 112.293 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 10' ' ' PRO . 10.3 t -33.35 143.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.127 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.75 150.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -57.41 135.97 56.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -121.26 102.93 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.84 -32.23 33.51 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -122.77 154.41 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.0 t -44.3 152.09 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.575 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 3.2 m -96.55 27.55 3.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.25 -57.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 p -107.82 -0.6 21.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.9 m 62.68 29.13 16.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.87 107.0 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 m -62.13 147.22 48.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.589 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 1.9 m-85 -104.42 113.55 27.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.0 m -114.28 -76.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.782 HG23 HD12 ' A' ' 27' ' ' LEU . 15.4 m -132.72 -30.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.782 HD12 HG23 ' A' ' 26' ' ' VAL . 4.8 mp -84.13 -66.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 132.1 46.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -103.23 137.62 41.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.589 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 5.1 tpp85 -65.1 91.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.453 ' CD ' ' HA ' ' A' ' 42' ' ' SER . 31.8 mtt85 -87.24 146.61 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.7 m -111.12 136.01 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.0 t -69.28 164.63 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 t -101.39 -31.93 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -85.45 -75.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.4 p -66.24 -35.41 80.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.26 37.22 25.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 8.0 m-20 -108.04 177.41 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 8.8 m -84.87 145.12 27.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 89.2 m-85 -158.73 168.34 27.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.4 p -88.07 -176.9 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.453 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 23.0 t -82.46 4.52 23.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -110.47 -26.92 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 77.2 m -93.94 -37.13 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.42 42.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -121.95 37.68 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.406 ' CD1' ' CG ' ' A' ' 73' ' ' ASN . 72.8 m-85 -113.58 111.32 21.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -76.85 126.3 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 66' ' ' VAL . 27.4 m -150.94 151.42 29.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.711 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.37 14.48 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HE3' HG11 ' A' ' 66' ' ' VAL . 5.9 ptpp? -78.79 -37.53 40.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -58.37 -44.44 88.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -48.14 -52.1 22.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.5 mtm -49.33 -42.48 41.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 56' ' ' ALA . . . 171.72 89.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 55' ' ' GLY . . . -34.14 111.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t -133.25 37.96 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . . . -174.65 144.97 0.92 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -9.61 26.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.264 . . . . 0.0 112.341 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -111.66 -47.54 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 58' ' ' ALA . . . -52.89 97.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -132.78 -53.83 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -127.46 38.89 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.13 174.95 9.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.6 p -134.71 123.51 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.438 HG11 ' HE3' ' A' ' 51' ' ' LYS . 35.8 m -120.48 163.46 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -97.86 129.65 44.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.6 m -125.49 168.1 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.4 p -85.87 140.53 30.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.57 -56.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.4 t -41.99 -44.12 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 69' ' ' CYS . 92.6 m -79.32 -56.34 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.406 ' CG ' ' CD1' ' A' ' 47' ' ' PHE . 13.6 t30 -38.76 -40.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.59 -44.94 76.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' CYS . 70.9 m -65.68 -47.35 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.23 -56.55 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.1 p -62.88 -35.63 80.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -50.87 127.03 17.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.9 p -41.09 104.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.33 169.53 34.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.439 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 167.65 23.81 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.384 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -101.24 92.72 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 t -173.52 108.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.474 179.985 . . . . . . . . 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 -0.357 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -130.32 156.23 45.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.893 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -148.82 169.07 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.5 50.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -58.02 121.3 10.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 t -125.07 167.58 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.24 154.0 9.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -155.75 139.16 15.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.414 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 8.3 m-85 -37.91 106.68 0.37 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 9' ' ' TYR . 53.6 Cg_endo -69.76 -1.22 8.1 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.3 p -91.78 145.14 24.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -105.71 -58.88 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -107.45 100.94 10.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 33.5 p90 -124.46 95.8 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.495 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . -115.76 49.38 0.86 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.436 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.711 HD22 HG23 ' A' ' 23' ' ' THR . 0.6 OUTLIER -143.08 173.77 11.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 t -62.28 159.45 15.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.564 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 23.7 m -100.0 4.65 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.54 -58.24 0.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -103.17 12.83 35.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.5 m 42.86 32.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.88 100.18 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.711 HG23 HD22 ' A' ' 16' ' ' ASN . 18.9 m -51.32 148.7 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 30' ' ' ARG . 6.1 m-85 -97.82 43.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -98.84 -50.11 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 27' ' ' LEU . 64.0 t -64.77 76.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER 32.94 41.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -111.15 112.09 23.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -60.84 132.89 55.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.562 ' HD2' ' CD1' ' A' ' 24' ' ' PHE . 25.8 ttt-85 -92.99 124.57 37.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' CZ ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -96.98 175.83 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.4 p -141.93 121.33 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.2 t -54.23 160.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -103.37 -26.62 12.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -87.39 -72.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.504 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 20.6 p -68.44 -40.6 81.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.63 35.76 9.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.504 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 3.2 m-20 -107.2 169.19 8.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.413 ' CB ' ' HE ' ' A' ' 30' ' ' ARG . 96.1 p -80.67 143.33 33.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 74.8 m-85 -155.1 159.4 40.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.9 p -82.02 -175.51 5.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.1 t -81.86 0.98 37.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -107.23 -24.12 12.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 96.8 m -99.54 -31.03 11.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.0 t -95.49 41.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -121.34 43.15 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.23 117.49 23.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -88.55 128.46 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.7 m -144.39 151.24 50.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 133.37 25.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HE2' HG11 ' A' ' 66' ' ' VAL . 14.8 ptpt -87.36 40.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 t -117.76 -52.04 2.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' MET . 3.5 t -56.29 -41.37 75.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -34.68 -68.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' ALA . . . -179.61 -143.14 5.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' GLY . . . -36.98 99.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 t -122.35 140.36 52.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.857 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -82.24 168.41 23.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.713 . . . . 0.0 111.069 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.857 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.9 Cg_endo -69.7 -6.15 17.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -97.83 -50.25 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 51' ' ' LYS . . . -49.77 -24.29 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -49.85 145.43 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 60.53 39.9 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -118.31 156.86 28.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.1 p -127.3 120.74 29.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.571 HG11 ' HE2' ' A' ' 51' ' ' LYS . 19.3 m -119.91 166.94 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -100.62 129.87 46.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.9 m -129.29 179.2 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.587 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 16.4 p -97.03 141.98 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.71 -58.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -41.22 -42.8 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 75' ' ' THR . 91.5 m -80.75 -63.78 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 72' ' ' CYS . 10.6 t30 -34.21 -35.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' CYS . 34.4 mt-30 -73.5 -47.63 39.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' CYS . 92.2 m -65.33 -41.95 93.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.67 -48.7 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' LYS . 32.0 t -59.1 -45.03 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' SER . 21.0 mmtm -34.61 112.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 p -76.89 172.57 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.794 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.71 168.44 13.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.56 21.25 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.3 t -117.22 137.12 52.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.7 t -46.2 140.9 3.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.474 -179.998 . . . . . . . . 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 -0.313 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p -103.14 144.22 31.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 p -104.87 162.78 13.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.3 107.91 1.63 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 t -122.49 103.21 8.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -54.52 143.23 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.09 75.66 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -172.08 144.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -133.42 155.82 80.34 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.694 0.759 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 161.6 45.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 m -156.35 136.08 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -152.48 140.67 20.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.81 143.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -125.82 101.15 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . -153.38 43.54 0.62 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 15' ' ' GLY . 1.3 m120 -139.92 162.37 35.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.0 t -53.3 147.72 9.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 18' ' ' THR . 24.8 m -96.63 21.15 9.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.68 -48.01 0.13 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.5 p -114.56 -6.14 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 m 59.21 46.38 13.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.77 103.3 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 m -43.19 145.81 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.582 ' CE1' ' HD2' ' A' ' 30' ' ' ARG . 20.2 m-85 -90.51 84.16 5.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 p -69.08 171.05 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.627 HG23 ' CD2' ' A' ' 27' ' ' LEU . 25.9 m -47.23 -35.9 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.627 ' CD2' HG23 ' A' ' 26' ' ' VAL . 4.3 mm? -86.67 34.29 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -154.32 161.59 41.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 120.86 29.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HD2' ' CE1' ' A' ' 24' ' ' PHE . 10.5 ttt-85 -74.52 92.3 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -72.76 165.94 23.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.7 m -126.1 124.91 41.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.8 t -54.02 165.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -102.91 -30.62 10.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -87.38 -75.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.3 p -65.09 -36.05 83.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.88 37.48 22.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -105.27 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.3 p -92.8 142.78 26.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 70.6 m-85 -157.48 162.15 38.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -83.53 -179.35 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -82.88 19.84 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -127.67 -28.74 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 64.8 m -90.7 -37.47 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 42.6 t -90.51 41.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.0 41.22 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.421 ' HB3' ' CG ' ' A' ' 73' ' ' ASN . 93.1 m-85 -117.61 115.24 24.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -79.89 132.3 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.8 m -148.77 151.84 36.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 127.04 14.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.303 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.665 ' HG3' ' HB1' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -92.16 40.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 t -114.13 -47.07 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.5 m -102.21 77.72 1.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 32.5 mtt -130.82 -58.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.24 -66.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.74 112.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 111.109 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -153.57 144.65 22.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.738 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -48.14 165.05 0.24 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.738 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 54.1 Cg_endo -69.73 0.55 5.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.61 -53.43 28.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.665 ' HB1' ' HG3' ' A' ' 51' ' ' LYS . . . -73.63 88.78 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -115.14 -66.66 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -82.64 -30.09 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' CG ' ' HD3' ' A' ' 51' ' ' LYS . 10.9 tt0 -36.87 145.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.3 p -127.36 133.34 50.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 19.2 m -118.82 160.38 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -102.53 117.6 35.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 73' ' ' ASN . 30.1 m -112.48 -178.93 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.599 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 24.1 p -93.85 152.16 19.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.92 -47.63 5.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t -51.15 -44.55 61.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' THR . 92.5 m -79.01 -62.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.498 ' HB2' HG23 ' A' ' 68' ' ' VAL . 12.7 t30 -36.41 -41.47 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -67.07 -44.82 79.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' CYS . 88.2 m -66.01 -45.1 82.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.0 mt -60.31 -49.37 77.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.5 t -50.7 -40.43 54.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 44.04 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 m -90.32 86.47 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.431 ' HA3' ' HD2' ' A' ' 81' ' ' PRO . . . -86.77 -138.62 5.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.431 ' HD2' ' HA3' ' A' ' 80' ' ' GLY . 53.7 Cg_endo -69.73 -47.17 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.6 m -66.42 91.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.4 p -121.92 -51.81 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.452 179.993 . . . . . . . . 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 -0.346 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -83.17 109.26 17.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -149.6 176.4 10.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.82 166.09 30.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -152.29 145.57 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -85.27 -59.79 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.43 59.64 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -64.45 115.02 4.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.494 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 3.3 t80 -165.49 139.51 3.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.625 0.726 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.494 ' HD2' ' CG ' ' A' ' 9' ' ' TYR . 53.4 Cg_endo -69.79 103.76 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.9 m -98.02 136.61 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' ASN . 4.2 t-20 -174.36 149.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 3.3 t30 -37.52 145.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -114.99 176.32 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.38 37.63 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.44 167.7 21.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.8 t -61.94 143.47 56.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.415 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.4 m -92.98 18.46 9.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.04 -48.82 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.7 p -110.77 -17.7 13.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.0 t 71.85 42.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.06 108.12 19.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.4 m -54.85 145.86 18.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.127 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.597 ' CE1' ' HD3' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -100.67 123.87 45.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -116.21 -65.54 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.467 HG13 ' HG ' ' A' ' 27' ' ' LEU . 3.5 p -125.47 -13.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.163 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.467 ' HG ' HG13 ' A' ' 26' ' ' VAL . 18.1 mt -123.78 -179.44 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 29' ' ' LYS . 59.5 mttt 55.65 48.78 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 28' ' ' LYS . 2.9 mmmm -34.13 119.47 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.597 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 4.3 tpp85 -39.94 97.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -94.72 149.26 21.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m -113.39 129.51 56.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.2 t -61.52 165.14 5.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -102.09 -31.27 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -87.48 -74.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.1 p -65.07 -34.06 77.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.97 38.04 31.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.44 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 33.1 m-20 -108.59 -179.19 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.41 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 19.6 m -90.57 144.43 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 90.4 m-85 -158.26 163.3 37.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.8 p -83.89 178.22 7.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 93.5 p -76.78 4.13 10.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -107.23 -30.43 8.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 68.0 m -90.98 -36.99 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 44.7 t -88.56 45.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -122.46 42.94 3.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.528 ' CD2' ' ND2' ' A' ' 73' ' ' ASN . 88.4 m-85 -124.08 119.26 28.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -90.71 118.49 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.6 HG21 ' CD1' ' A' ' 76' ' ' LEU . 17.4 m -138.15 150.73 68.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 111.146 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 130.33 19.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.639 ' HE2' HG11 ' A' ' 66' ' ' VAL . 14.8 ptpt -86.95 -29.67 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.2 p -58.96 -33.92 71.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.4 t -96.43 50.83 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 51' ' ' LYS . 50.0 mtt -116.09 34.78 4.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.1 -77.33 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.18 121.15 20.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.0 p -148.66 145.71 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.489 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -45.48 157.31 0.37 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 111.085 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.6 Cg_endo -69.75 -6.16 17.92 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -78.86 -56.47 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 51' ' ' LYS . . . -63.63 117.92 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 63' ' ' ARG . 46.1 mt-30 -143.01 138.29 29.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.2 OUTLIER 35.14 38.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' CG ' ' HE3' ' A' ' 51' ' ' LYS . 16.9 tp10 -94.56 131.97 39.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.6 p -95.08 124.56 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.639 HG11 ' HE2' ' A' ' 51' ' ' LYS . 27.7 m -121.59 163.48 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -98.15 121.42 40.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 73' ' ' ASN . 22.6 m -120.44 178.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.2 p -96.22 142.03 28.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' CYS . . . -34.58 -53.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.0 t -44.39 -45.28 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 69' ' ' CYS . 92.9 m -79.75 -56.43 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.528 ' ND2' ' CD2' ' A' ' 47' ' ' PHE . 13.0 t30 -41.39 -38.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.78 -41.31 78.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 72' ' ' CYS . 85.3 m -69.09 -45.53 70.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.6 ' CD1' HG21 ' A' ' 49' ' ' VAL . 35.0 mt -58.37 -57.79 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -41.26 -57.04 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -57.51 168.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 t -69.32 88.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -38.67 103.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 82' ' ' SER . 53.5 Cg_endo -69.78 136.31 32.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 81' ' ' PRO . 48.4 m -36.35 -61.58 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 99.0 p -82.92 162.23 21.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.475 -179.972 . . . . . . . . 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 1.452 -0.256 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 t -168.79 116.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -158.85 114.16 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.74 162.81 32.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -69.73 147.59 50.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -150.1 117.65 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.7 124.89 1.08 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.447 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -55.62 -62.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -151.39 126.29 4.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.679 0.752 . . . . 0.0 110.973 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 96.41 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 m -69.27 121.54 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -124.74 156.54 37.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -64.99 129.32 39.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -77.26 170.59 16.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.87 -34.19 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.546 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.29 178.08 7.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.378 . . . . 0.0 110.859 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.2 t -64.56 144.84 56.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -93.04 18.88 8.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.84 -49.17 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.542 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.24 1.1 14.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m 49.21 51.71 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.49 104.24 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 m -38.7 148.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.571 ' CD2' ' HD2' ' A' ' 30' ' ' ARG . 55.9 m-85 -92.0 151.57 20.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -147.32 -178.95 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.3 t -42.5 -49.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -71.8 -56.54 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -81.21 95.98 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -79.39 133.02 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.571 ' HD2' ' CD2' ' A' ' 24' ' ' PHE . 17.7 ttt-85 -65.99 99.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -88.22 147.81 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 p -108.82 129.41 55.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.3 t -61.83 165.02 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -106.14 -29.28 9.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -86.66 -73.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.6 p -68.02 -36.6 80.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.26 38.57 14.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.431 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 22.0 m-20 -111.88 176.75 4.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -86.37 144.41 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.593 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 83.8 m-85 -158.02 159.22 36.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 p -82.32 179.28 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 p -77.2 0.71 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.501 ' NE ' ' O ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -104.29 -31.02 9.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 94.0 m -91.7 -33.42 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -96.29 40.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -113.14 29.02 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.14 122.08 42.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 23.3 mtmt -93.75 134.55 35.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.7 151.99 61.64 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.597 0.713 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 131.54 21.36 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 64' ' ' GLU . 9.0 ptpt -86.42 33.48 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 t -114.61 -42.61 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.9 p -65.97 -32.68 74.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -59.78 110.72 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 39.77 -135.23 1.83 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.51 163.5 27.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -144.14 143.15 30.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.757 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -78.96 165.45 49.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.693 . . . . 0.0 111.074 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.757 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.6 Cg_endo -69.73 2.98 3.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.395 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -118.3 -53.79 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.93 85.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -127.64 -50.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.1 mmt-85 -102.57 33.97 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.433 ' HB3' ' CG ' ' A' ' 51' ' ' LYS . 2.3 tp10 -102.68 144.71 30.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.2 p -113.55 146.91 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.39 162.17 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 92.2 m-85 -99.53 126.23 45.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.7 m -124.94 175.76 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 15.4 p -95.51 146.04 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' HB1' ' NE2' ' A' ' 74' ' ' GLN . . . -39.0 -58.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m -40.29 -38.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 75' ' ' THR . 97.1 m -84.26 -63.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 t30 -37.06 -39.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' HB1' ' A' ' 70' ' ' ALA . 2.3 mp0 -64.32 -43.97 93.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.2 m -70.12 -48.55 57.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.3 mt -52.98 -57.97 8.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.8 m -89.91 40.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -92.11 -61.04 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.9 m 39.07 38.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.57 -132.55 4.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.62 56.31 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.301 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.3 t 55.7 40.9 30.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.0 p -106.89 92.99 4.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.468 179.999 . . . . . . . . 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 -0.339 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -151.19 135.93 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -144.43 133.95 23.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.16 163.95 24.82 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -157.32 158.21 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.841 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -164.53 159.09 18.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.37 105.27 0.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -138.54 145.0 40.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.423 ' HD1' HG23 ' A' ' 11' ' ' THR . 1.1 p90 -98.39 136.18 20.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.674 0.75 . . . . 0.0 110.921 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 83.32 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.375 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.423 HG23 ' HD1' ' A' ' 9' ' ' TYR . 67.6 p -112.58 85.58 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -132.61 -43.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -86.38 113.68 22.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -129.0 171.11 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -131.82 43.51 1.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -136.27 175.21 9.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.5 t -76.12 146.36 39.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.465 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.3 m -97.32 24.3 6.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.35 -40.18 0.19 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -123.6 -2.97 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m 56.6 46.76 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -111.85 105.84 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 m -52.74 139.69 25.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.49 103.12 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -111.0 -70.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.6 -31.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.61 -49.81 61.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -126.24 167.54 15.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -122.79 148.56 45.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -58.45 87.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -82.08 173.55 12.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 m -135.76 127.06 28.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.47 163.89 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -100.92 -32.05 10.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -86.54 -75.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.451 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 16.8 p -66.91 -31.67 72.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.03 37.62 56.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 16.4 m-20 -104.05 177.81 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 p -87.42 139.49 30.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 95.8 m-85 -154.48 166.82 32.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -83.88 -175.4 5.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 p -85.82 12.31 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -120.79 -24.99 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 62.3 m -91.99 -38.03 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 43.7 t -92.75 44.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -122.94 46.3 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -125.87 121.98 34.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' CG ' ' CE1' ' A' ' 67' ' ' PHE . 56.0 mtpt -86.58 121.96 29.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.401 ' CG1' ' OD1' ' A' ' 73' ' ' ASN . 32.8 m -138.39 151.43 69.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 124.02 10.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.48 ' CD ' ' HB3' ' A' ' 64' ' ' GLU . 1.7 ptmm? -79.27 -48.39 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 51' ' ' LYS . 77.9 p -40.65 -28.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.5 p -99.29 52.22 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.2 mtt -106.65 -53.29 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.16 -36.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.03 102.14 12.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.1 p -76.41 121.26 22.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.181 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.481 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -136.57 157.09 75.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 111.1 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.7 Cg_endo -69.8 0.07 6.2 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.657 2.238 . . . . 0.0 112.327 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -96.97 -45.99 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.44 107.97 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -135.51 105.17 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 45.91 36.1 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.48 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 5.0 tp10 -78.85 172.89 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 62.5 p -128.67 130.93 47.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.78 158.56 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.424 ' CE1' ' CG ' ' A' ' 48' ' ' LYS . 66.9 m-85 -98.54 123.77 42.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.551 HG23 ' HB2' ' A' ' 73' ' ' ASN . 27.1 m -124.13 178.95 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.6 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.3 p -92.5 151.1 20.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.15 -48.8 9.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.3 m -48.71 -42.08 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.892 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 75' ' ' THR . 68.2 m -81.82 -64.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.551 ' HB2' HG23 ' A' ' 68' ' ' VAL . 6.2 t30 -37.5 -38.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.37 -43.44 77.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' CYS . 98.2 m -69.29 -38.86 78.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.36 -56.58 15.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.7 m -105.56 46.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 79' ' ' SER . 11.4 pttm -68.01 -44.18 77.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 43.2 m -155.3 147.64 23.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.49 146.43 37.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -30.66 22.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.4 m 53.61 44.75 29.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 m -47.13 -45.09 22.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.1 -0.834 . . . . 0.0 112.462 -179.973 . . . . . . . . 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 -0.335 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 p -107.66 146.57 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.378 . . . . 0.0 110.844 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -133.93 99.93 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.94 141.93 7.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -134.54 157.66 45.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -140.54 148.42 40.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.27 107.41 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.9 mmm-85 -134.69 147.52 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.429 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 31.5 m-85 -108.53 102.31 46.77 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.671 0.748 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 11' ' ' THR . 53.8 Cg_endo -69.76 6.72 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.341 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 11' ' ' THR . 15.1 t -30.83 124.33 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.32 -44.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -174.82 136.28 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -116.5 132.52 56.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . -140.4 37.18 1.72 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.437 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 15' ' ' GLY . 1.2 m120 -138.96 163.61 31.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.91 151.45 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.632 HG22 ' O ' ' A' ' 18' ' ' THR . 21.9 m -96.7 19.87 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.183 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.1 -53.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.7 p -109.31 2.29 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.4 m 49.44 47.96 21.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.74 103.06 12.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 m -41.07 148.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.54 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 50.4 m-85 -92.48 102.46 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' LYS . 51.7 p -91.57 163.97 13.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 p -42.92 -25.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mp -91.44 28.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' SER . 31.9 ttmt -161.51 149.57 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.32 129.37 54.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 4.6 ttp180 -68.01 111.96 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -88.78 176.21 7.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.7 m -134.43 119.6 18.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.1 t -57.01 164.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -102.75 -29.81 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -87.61 -75.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.495 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 17.0 p -66.78 -33.89 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.68 37.51 30.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.495 ' ND2' ' SG ' ' A' ' 36' ' ' CYS . 15.9 m-20 -107.05 173.6 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 m -86.94 135.64 33.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.592 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 95.0 m-85 -146.1 162.45 37.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 p -77.0 -175.0 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.5 m -84.33 0.42 49.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 43' ' ' ARG . 12.4 mtp-105 -109.22 -20.61 12.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.3 m -97.06 -34.62 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 47.2 t -94.42 40.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -119.51 30.52 7.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 87.2 m-85 -111.56 112.62 24.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 67' ' ' PHE . 29.9 mttt -78.96 132.95 36.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -148.56 148.54 28.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.661 0.743 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 121.35 8.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.383 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.655 ' CD ' ' HB1' ' A' ' 61' ' ' ALA . 8.8 ptpt -73.37 2.06 8.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.424 ' O ' HG22 ' A' ' 57' ' ' THR . 47.7 t -104.18 -30.59 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.8 m -109.35 32.17 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.409 ' HB2' HD22 ' A' ' 76' ' ' LEU . 2.3 ptp -113.04 18.18 18.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.4 -62.25 0.57 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.57 171.32 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 52' ' ' SER . 62.0 p -138.67 152.48 48.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.63 151.69 21.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 111.106 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -2.22 9.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.305 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -115.79 -50.69 2.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.655 ' HB1' ' CD ' ' A' ' 51' ' ' LYS . . . -78.98 62.02 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -131.93 156.4 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? 55.3 26.51 8.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -118.22 140.86 49.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -108.96 117.38 34.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 m -106.82 167.1 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.171 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.41 ' CZ ' ' HE3' ' A' ' 48' ' ' LYS . 36.4 m-85 -101.56 124.5 47.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.54 171.95 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.592 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 18.9 p -89.63 141.57 28.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . . . -36.5 -57.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.3 t -41.26 -41.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 75' ' ' THR . 91.2 m -80.62 -64.26 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' CYS . 3.8 t30 -34.73 -39.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -67.1 -48.19 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 72' ' ' CYS . 19.9 m -70.05 -53.38 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 54' ' ' MET . 97.1 mt -43.61 -53.41 5.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.5 p -103.68 72.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -131.31 151.63 51.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.7 t -59.4 120.04 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -48.49 140.23 10.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 158.95 55.21 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.8 m -74.82 113.16 11.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.7 t -50.12 -54.67 19.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.478 -179.96 . . . . . . . . 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 1.451 -0.349 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 m -156.15 149.56 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -54.56 171.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.35 93.08 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 p -95.21 113.64 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 t -130.08 135.44 48.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.72 -167.92 28.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.18 144.24 42.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 110.925 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -108.5 152.02 41.88 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.721 0.772 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 156.41 63.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 12' ' ' ASN . 8.9 t -46.4 -43.54 16.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.465 ' N ' HG23 ' A' ' 11' ' ' THR . 20.9 p-10 -127.48 -54.49 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -174.23 -177.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -89.97 174.09 7.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.49 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . 70.03 36.19 72.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 15' ' ' GLY . 1.2 m120 -139.8 158.2 44.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.9 t -52.39 148.8 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.573 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 1.8 m -96.67 21.79 8.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.201 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.43 -55.09 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.5 p -105.43 -1.76 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.346 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m 55.29 47.02 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.35 106.24 15.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 m -45.34 148.78 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' A' ' 30' ' ' ARG . 62.4 m-85 -91.48 90.13 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -133.22 -54.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.611 ' O ' HG22 ' A' ' 26' ' ' VAL . 1.6 p -65.56 81.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' VAL . 23.2 mt 36.81 44.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -113.76 105.18 12.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -80.67 117.52 21.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . 6.0 ttp180 -51.01 109.02 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.7 mtt85 -87.25 164.4 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 p -124.19 125.42 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.6 t -62.5 164.76 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -101.79 -30.33 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -87.92 -75.42 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.439 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 15.7 p -66.51 -32.72 74.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.78 37.97 37.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.542 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 10.0 m-20 -107.12 173.93 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.9 m -87.94 137.58 32.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 18' ' ' THR . 92.4 m-85 -150.44 166.89 28.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.4 p -82.54 -176.76 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -83.21 9.84 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -115.0 -30.28 6.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.8 m -86.99 -39.37 15.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 t -90.43 42.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -117.32 39.06 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -119.9 125.22 47.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -92.57 116.92 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 m -133.45 149.34 72.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.716 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.02 11.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.301 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.457 ' HE2' HG11 ' A' ' 66' ' ' VAL . 14.8 ptpt -73.98 -35.76 64.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -48.9 -51.75 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 m -45.48 -43.6 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 61.4 mtm -68.54 95.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.91 136.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.67 157.88 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.0 t -167.21 171.22 11.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.729 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -48.24 164.44 0.27 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 111.14 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.729 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.2 Cg_endo -69.78 0.93 4.94 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -73.83 -50.38 20.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.0 81.36 3.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -120.18 -50.0 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -111.31 44.59 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -104.08 159.07 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.5 p -132.58 122.73 25.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.457 HG11 ' HE2' ' A' ' 51' ' ' LYS . 29.0 m -113.81 170.08 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.51 131.02 46.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -132.9 166.31 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 17.3 p -86.14 143.32 28.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.74 -54.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 t -42.23 -40.49 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' THR . 75.6 m -82.97 -61.05 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' CYS . 1.7 t30 -35.92 -37.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -72.5 -44.2 62.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' CYS . 91.6 m -66.57 -44.38 82.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.51 -53.45 57.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -61.68 -43.89 98.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -52.28 -46.44 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.8 t 68.88 42.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.4 90.25 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.52 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.6 p -51.67 -50.45 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -132.8 154.88 49.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.477 -179.981 . . . . . . . . 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 1.45 -0.39 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -49.41 -46.03 47.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.816 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -55.4 134.84 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.14 131.75 5.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -170.0 127.9 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.3 p -145.13 113.57 6.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.32 149.41 22.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -74.86 162.13 28.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -136.89 141.41 34.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.698 0.761 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -170.35 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.538 ' O ' HG22 ' A' ' 11' ' ' THR . 72.0 m -82.8 72.81 9.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -53.31 -41.78 65.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.511 ' O ' HG22 ' A' ' 11' ' ' THR . 9.5 t-20 -69.3 137.55 53.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -142.02 175.8 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 147.65 -37.27 1.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.08 167.4 14.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.7 t -41.22 160.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.578 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 2.9 m -103.67 12.83 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.16 -38.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' SER . 24.9 p -123.59 13.19 9.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' CYS . 37.9 m 37.13 50.51 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.07 110.01 22.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 m -60.45 137.84 58.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -103.36 108.64 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.9 m -109.47 -75.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.418 HG23 HD23 ' A' ' 27' ' ' LEU . 3.8 m -130.84 -32.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD23 HG23 ' A' ' 26' ' ' VAL . 4.0 mm? -78.93 -62.5 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.2 139.5 34.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -113.11 122.78 48.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -59.4 94.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -79.25 177.63 8.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 m -131.02 129.47 42.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 39.9 t -66.64 164.7 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 m -105.24 -27.91 11.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -87.95 -75.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.504 ' SG ' ' ND2' ' A' ' 38' ' ' ASN . 15.5 p -67.66 -37.52 82.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.38 38.66 12.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.536 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 13.1 m-20 -107.81 177.57 4.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 m -85.52 137.06 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 69' ' ' CYS . 87.9 m-85 -153.16 166.77 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.58 -178.17 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.3 t -80.36 2.43 24.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -107.49 -27.97 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.4 m -95.25 -34.09 12.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.24 35.92 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 p -111.36 34.9 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -112.61 117.03 31.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 8.0 mtpm? -85.55 127.2 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.497 HG21 HG11 ' A' ' 68' ' ' VAL . 30.8 m -142.92 152.54 59.06 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.572 0.701 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 130.14 18.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.625 2.217 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' HD3' ' CG ' ' A' ' 64' ' ' GLU . 4.1 ptmt -84.77 -40.75 16.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' LYS . 41.4 t -34.53 -66.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.2 t -69.22 -35.89 76.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.4 ttp -90.3 83.48 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.21 -128.79 6.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.53 154.54 20.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.3 p -86.22 161.52 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.849 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -168.77 169.1 4.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.582 0.706 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.849 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.6 Cg_endo -69.81 -21.3 33.46 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.312 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -110.3 -26.58 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 52' ' ' SER . . . -55.88 -37.06 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -39.81 -52.06 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -116.42 58.31 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' CG ' ' HD3' ' A' ' 51' ' ' LYS . 4.5 tp10 -119.01 163.99 16.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.5 p -141.5 124.8 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.6 m -120.39 161.72 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 8.7 m-85 -98.58 134.28 41.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.497 HG11 HG21 ' A' ' 49' ' ' VAL . 19.0 m -129.45 171.08 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 16.9 p -90.73 146.53 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.95 -61.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -39.72 -35.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' THR . 88.1 m -86.91 -59.61 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -41.05 -38.95 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -66.91 -40.38 87.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' CYS . 85.3 m -72.34 -43.1 64.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.1 mt -61.22 -49.56 76.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.3 t -86.48 44.63 1.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -101.8 -48.96 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.3 t -58.99 126.24 26.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -130.33 -141.11 4.86 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 82' ' ' SER . 54.1 Cg_endo -69.69 2.8 3.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' PRO . 84.2 p -34.14 -45.97 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.7 m 65.27 45.05 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.526 179.959 . . . . . . . . 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 -0.341 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -131.54 113.74 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.374 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -91.75 168.17 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.61 -168.21 0.59 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -146.62 110.18 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.883 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -60.27 123.33 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.17 -149.54 21.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.409 ' HD3' ' O ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 40.35 54.87 2.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -136.47 153.05 75.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.688 0.756 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 116.67 4.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 m -102.81 128.25 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -47.01 148.68 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -73.6 -51.13 17.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -157.36 171.75 19.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.19 -21.84 23.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.35 167.0 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.5 t -40.47 161.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.554 ' HB ' ' CE1' ' A' ' 40' ' ' PHE . 45.6 m -95.29 -9.09 34.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.08 -64.22 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.49 -8.11 39.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m 55.71 46.58 22.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' THR . . . -94.73 103.45 15.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ALA . 3.1 m -37.04 147.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 65.2 m-85 -99.21 59.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 p -114.55 -47.35 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.606 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.3 p -63.16 79.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' VAL . 1.6 mp 35.48 49.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -129.51 111.43 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -80.91 116.23 20.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 7.1 ttp180 -48.26 105.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -78.2 161.12 27.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -123.44 125.11 44.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 38.8 t -58.27 164.29 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -100.66 -32.63 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -85.43 -75.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.5 p -65.44 -35.54 81.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.25 37.4 28.39 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -108.3 174.85 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 m -82.21 141.59 32.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CZ ' ' SG ' ' A' ' 69' ' ' CYS . 66.7 m-85 -155.81 164.19 38.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 p -86.93 177.31 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.1 p -78.79 11.3 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -117.45 -29.22 5.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.9 m -91.44 -35.9 14.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 8.7 t -95.49 37.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 p -110.89 36.5 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -118.51 117.48 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 26.5 mtpp -88.17 119.9 29.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.6 m -131.29 151.41 78.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 133.04 24.61 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -83.09 39.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -129.52 26.88 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 p -122.67 -40.29 2.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.5 mtt -50.47 -41.36 52.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.49 44.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.58 41.94 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.6 p -41.91 109.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . . . -142.83 147.14 40.63 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.1 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 2.69 3.26 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.03 -36.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 58' ' ' ALA . . . -80.05 43.58 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -125.61 -38.01 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -79.44 -30.63 42.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.22 159.02 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -131.73 130.7 42.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 m -116.97 150.39 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.548 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 42.4 m-85 -93.82 128.41 40.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 73' ' ' ASN . 19.6 m -128.32 175.95 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.576 ' SG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.5 p -90.45 147.89 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.25 -54.42 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -43.78 -43.42 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 75' ' ' THR . 90.2 m -80.43 -63.01 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.9 t30 -36.5 -41.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -64.8 -44.44 89.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' CYS . 80.2 m -69.66 -49.12 56.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.4 mt -58.73 -54.16 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.9 t -81.18 43.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -146.75 113.89 6.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -91.18 49.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -135.87 -158.99 8.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 99.32 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.8 p -74.99 137.92 41.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 p -102.4 158.92 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.481 179.984 . . . . . . . . 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_