data_2yrh_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 2yrh _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.803 0.251 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 23.1 mt -106.36 102.68 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.12 146.18 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' GLY . 26.5 t -72.97 111.06 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -67.92 -3.8 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.52 -43.6 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.83 -37.29 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 103.43 41.56 2.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -107.43 119.93 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.1 p -80.18 146.36 31.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CE1' HD12 ' A' ' 26' ' ' LEU . 70.4 m-85 -130.61 167.87 18.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -95.9 -48.58 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -93.05 164.14 13.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.458 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 75.4 p -79.86 -41.79 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.3 t -64.82 -31.69 73.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 m -60.01 -66.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 20' ' ' PHE . 14.4 tp -47.61 -56.46 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.3 t -53.04 -58.6 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 70.8 mttt -53.61 -15.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.534 ' CE1' HD13 ' A' ' 32' ' ' ILE . 2.7 t60 -95.04 -36.26 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -57.8 -36.86 72.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -49.34 -21.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.534 HD13 ' CE1' ' A' ' 29' ' ' HIS . 4.8 pt -66.44 -34.99 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.42 ' NE2' HD11 ' A' ' 32' ' ' ILE . 76.8 m-70 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.802 0.251 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 21.0 mt -105.09 105.22 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.76 146.46 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' GLY . 49.1 t -72.27 118.7 15.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -73.15 -10.52 59.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 18.6 mm-40 -82.58 -43.65 16.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.37 -37.83 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.6 41.76 2.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 55.4 tttt -107.82 119.72 40.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.2 p -71.77 155.93 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CE1' ' O ' ' A' ' 18' ' ' LYS . 84.5 m-85 -142.1 160.12 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.11 -45.95 7.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -100.09 151.23 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.441 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 29.1 m -65.1 -57.46 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 23.2 t -51.51 -31.98 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.69 -59.63 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 34.0 tp -58.48 -55.44 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -47.13 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 24' ' ' SER . 3.1 tmmm? -63.38 -13.95 44.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.533 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 1.9 t60 -96.42 -36.45 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -56.27 -34.87 66.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 1.9 ptt180 -50.05 -21.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.533 ' CG2' ' O ' ' A' ' 29' ' ' HIS . 6.8 pt -68.45 -33.74 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.173 0 CA-C-O 120.801 0.25 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 56.8 mt -99.0 104.16 16.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.0 144.06 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' GLY . 44.8 t -72.79 118.25 15.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -71.32 -11.34 60.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.68 -46.03 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 p -115.03 -37.95 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.51 41.24 2.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.55 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 36.6 tttm -104.91 117.96 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.8 p -73.4 160.76 31.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.55 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 92.0 m-85 -148.76 166.41 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -107.07 -37.9 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -102.55 136.98 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -51.81 -37.63 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -67.33 -43.58 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 m -47.37 -54.14 11.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 16.9 tp -65.63 -59.88 3.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 m -49.27 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 62.2 mmtt -50.37 -16.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.569 ' CE1' HD13 ' A' ' 32' ' ' ILE . 2.0 t60 -95.67 -36.08 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.5 -29.76 64.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.1 ptt180 -57.86 -20.52 37.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.569 HD13 ' CE1' ' A' ' 29' ' ' HIS . 5.9 pt -67.86 -33.81 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.823 0.26 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 41.2 mt -108.4 104.32 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.434 ' CG2' ' HA2' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -109.89 144.91 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' GLY . 22.3 t -70.53 116.34 10.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.06 -3.28 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.603 ' CD ' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -96.69 -49.76 4.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.4 p -109.8 -31.6 7.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 92.78 44.76 3.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.496 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 35.0 tttp -107.93 118.24 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.6 p -77.21 135.46 38.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 92.0 m-85 -124.43 149.32 46.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -72.99 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -80.05 169.0 18.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.451 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 3.5 t -85.22 -49.5 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.1 p -55.79 -34.27 65.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.2 m -56.65 -61.7 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 12.3 tp -50.74 -58.67 5.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -51.68 -57.85 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 24.0 mmmt -57.09 -13.58 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.529 ' CE1' HD13 ' A' ' 32' ' ' ILE . 2.7 t60 -95.13 -37.11 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -57.03 -37.04 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.2 ptt180 -48.52 -23.01 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.529 HD13 ' CE1' ' A' ' 29' ' ' HIS . 5.0 pt -65.24 -35.56 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.837 0.266 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 15.7 mt -98.19 102.17 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -118.33 145.86 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' GLY . 25.2 t -70.72 110.8 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -69.34 -2.61 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.01 -42.39 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.7 -35.44 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.68 41.94 2.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -106.56 118.98 38.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.0 p -82.2 144.07 30.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -128.91 171.12 12.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -90.36 -50.97 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -105.66 169.33 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.466 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 49.9 p -75.79 -40.92 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.0 m -59.72 -39.14 83.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.3 m -59.19 -57.82 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.9 tp -58.13 -44.49 87.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 m -59.53 -59.7 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 26.6 mtmm -53.36 -15.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.566 ' CE1' HD11 ' A' ' 32' ' ' ILE . 2.6 t60 -94.64 -34.84 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' NE2' ' SG ' ' A' ' 13' ' ' CYS . 27.3 mm-40 -59.09 -36.1 74.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 4.1 ptm180 -50.77 -19.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 29' ' ' HIS . 4.4 pt -68.01 -32.94 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.865 0.277 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 13.3 mt -104.56 102.25 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -119.18 146.7 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' GLY . 30.4 t -73.85 112.73 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -69.49 -3.05 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -91.15 -44.03 9.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.83 -34.92 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 99.79 41.93 2.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -107.33 119.32 39.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.7 p -81.69 147.25 29.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -133.67 165.09 25.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -92.45 -47.7 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -92.83 167.23 11.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.416 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 4.5 t -80.62 -43.46 20.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.5 p -64.15 -32.71 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 m -57.39 -55.62 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 28.7 tp -63.46 -54.55 34.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.5 t -53.7 -59.74 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 31.7 mmtt -53.96 -14.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.57 ' CE1' HD13 ' A' ' 32' ' ' ILE . 2.9 t60 -95.73 -36.8 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.468 ' NE2' ' HA ' ' A' ' 13' ' ' CYS . 23.3 mm-40 -58.08 -35.12 70.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.6 ptm180 -49.42 -21.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.57 HD13 ' CE1' ' A' ' 29' ' ' HIS . 6.0 pt -68.25 -34.47 66.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.822 0.259 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.7 mt -104.92 102.91 12.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.24 143.41 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.532 ' O ' ' N ' ' A' ' 17' ' ' GLY . 14.2 t -70.38 111.06 5.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -64.05 -10.64 23.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.598 ' CD ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -84.73 -52.7 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -108.04 -37.95 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.98 42.1 2.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -105.16 118.91 37.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 55.5 p -75.49 148.27 39.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -134.33 169.17 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -91.02 -62.02 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -95.97 174.92 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -76.59 -52.93 8.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 t -49.24 -35.43 17.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.9 m -60.81 -64.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.6 tp -53.56 -53.91 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.7 t -54.6 -57.05 12.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -54.8 -14.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.564 ' CE1' HD13 ' A' ' 32' ' ' ILE . 2.5 t60 -95.11 -36.27 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -57.55 -36.6 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.2 ptm180 -49.62 -20.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.564 HD13 ' CE1' ' A' ' 29' ' ' HIS . 4.6 pt -67.22 -34.35 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.212 0 CA-C-O 120.829 0.262 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.447 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 22.8 mt -107.6 103.09 12.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -120.87 145.87 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.085 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 17' ' ' GLY . 38.2 t -74.61 114.03 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.16 -3.15 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 7.7 mm-40 -90.6 -42.87 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.4 p -117.37 -36.2 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 100.11 42.51 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -110.42 120.59 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.8 p -76.91 150.69 35.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -133.02 175.75 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -89.02 -59.37 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -105.22 175.65 5.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -73.98 -63.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.1 t -38.73 -39.08 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -60.69 -61.28 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 20.4 tp -57.15 -53.82 53.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.9 p -55.56 -55.97 25.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 6.9 ttpt -54.71 -14.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.516 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 3.2 t60 -95.76 -37.25 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -56.99 -34.59 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 4.2 ptt180 -49.79 -22.52 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.516 ' CG2' ' O ' ' A' ' 29' ' ' HIS . 7.4 pt -66.72 -34.64 71.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.487 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 81.7 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.209 0 CA-C-O 120.819 0.258 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 14.7 mt -101.39 102.69 13.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 p -118.51 133.07 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -57.96 114.81 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -72.86 2.44 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -96.62 -46.12 6.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.61 -37.95 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.88 41.21 2.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -111.3 126.62 55.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.1 p -84.18 147.94 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CD1' HD12 ' A' ' 26' ' ' LEU . 63.5 m-85 -129.15 160.54 32.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -85.55 -52.81 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -93.94 170.23 9.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.436 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 4.9 t -80.07 -45.0 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 p -62.39 -35.19 78.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.06 -55.41 31.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 18.5 tp -60.0 -56.45 21.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.4 p -51.7 -60.02 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 24.3 mmtt -53.56 -14.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.51 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 2.7 t60 -95.37 -37.65 10.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.62 -27.93 65.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -59.69 -19.11 47.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.51 ' CG2' ' O ' ' A' ' 29' ' ' HIS . 6.4 pt -68.42 -33.56 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.832 0.263 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 22.3 mt -95.78 102.8 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -118.36 147.61 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.8 t -70.89 108.94 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.59 -2.11 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.45 -41.5 9.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.1 p -117.96 -37.3 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 104.67 40.6 2.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -105.69 119.88 40.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.9 p -82.6 146.45 29.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.8 169.45 16.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -93.4 -49.02 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -100.08 165.54 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.478 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 46.8 t -74.03 -52.21 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -53.4 -34.13 56.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.9 m -58.98 -62.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.0 tp -53.18 -52.46 58.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.6 m -55.15 -59.45 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 14.9 mtpp -53.59 -15.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.623 ' CE1' HD13 ' A' ' 32' ' ' ILE . 2.0 t60 -95.58 -36.06 11.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -58.28 -35.05 71.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 5.6 ptm180 -50.64 -20.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.623 HD13 ' CE1' ' A' ' 29' ' ' HIS . 5.4 pt -67.49 -32.75 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.796 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.774 0.239 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 18.9 mt -108.32 102.39 11.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.79 141.7 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' GLY . 31.4 t -71.19 112.42 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.32 -3.36 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -90.95 -43.66 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.8 p -117.48 -36.59 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.55 42.28 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -107.08 117.9 35.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.1 p -77.63 148.35 35.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -133.15 169.97 16.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -88.9 -46.87 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -111.81 170.53 8.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.7 m -78.52 -47.29 17.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.9 m -50.9 -40.6 57.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.0 -62.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 19.9 tp -51.17 -52.64 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -56.04 -54.99 38.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 42.3 mtmt -55.88 -12.98 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.512 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 1.9 t60 -96.49 -38.05 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -54.0 -34.75 60.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.3 ptp180 -48.81 -25.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 29' ' ' HIS . 8.7 pt -63.21 -35.29 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.415 ' NE2' HD13 ' A' ' 32' ' ' ILE . 82.1 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.205 0 CA-C-O 120.779 0.241 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 58.4 mt -98.61 104.74 16.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 p -123.77 127.91 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.9 t -56.74 114.29 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.24 0.67 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -94.13 -44.63 7.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.16 -37.92 4.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.39 41.87 2.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.534 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 49.7 tttt -110.07 119.59 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.1 p -79.4 155.69 28.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.534 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 73.5 m-85 -147.36 148.17 31.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG3' ' CD ' ' A' ' 22' ' ' GLN . 2.2 ptp180 -99.61 9.37 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.417 ' CD ' ' HG3' ' A' ' 21' ' ' ARG . 11.4 mp0 -137.49 117.51 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.406 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 23.2 t -50.66 -29.99 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.9 p -71.57 -41.93 68.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -55.8 -66.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 19.4 tp -45.91 -62.84 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 t -50.26 -59.07 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 31.7 mttp -58.58 -11.3 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.506 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 1.5 t60 -96.58 -38.14 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -54.37 -34.74 61.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.6 ptt180 -49.4 -23.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 29' ' ' HIS . 7.3 pt -67.01 -34.87 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.81 0.254 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 81.7 mt -96.54 102.03 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.52 148.77 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' GLY . 44.7 t -77.11 118.91 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -71.92 -13.16 61.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.21 -45.94 30.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.96 -37.95 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 106.63 35.91 2.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 7.8 ttmm -96.85 120.31 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.6 p -79.15 159.15 27.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 89.0 m-85 -152.45 156.1 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -90.57 -50.43 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -86.47 151.02 23.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 2.5 t -65.9 -35.45 80.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 73.5 m -70.43 -27.35 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB3' ' CD1' ' A' ' 20' ' ' PHE . 4.7 m -60.52 -50.92 71.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.5 tp -67.27 -59.27 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 p -53.26 -56.8 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' SER . 20.4 ttpt -58.02 -11.65 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.53 ' CE1' HD12 ' A' ' 32' ' ' ILE . 1.5 t60 -96.71 -37.35 10.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -54.02 -35.04 61.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 5.6 ptm180 -50.36 -22.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.53 HD12 ' CE1' ' A' ' 29' ' ' HIS . 6.9 pt -66.77 -33.7 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.22 0 CA-C-O 120.825 0.26 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -97.71 102.02 13.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -120.96 141.37 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 17' ' ' GLY . 41.9 t -69.52 118.88 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -71.39 -10.07 59.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 6.5 mm-40 -83.4 -45.33 13.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -115.13 -37.9 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.38 41.64 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -106.62 120.11 41.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.0 p -73.76 155.4 38.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CE1' HD12 ' A' ' 26' ' ' LEU . 92.6 m-85 -137.91 168.89 18.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -90.6 -48.23 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -110.82 170.92 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.423 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 29.2 t -75.71 -44.41 42.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -54.83 -43.58 73.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.53 -63.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.426 HD12 ' CE1' ' A' ' 20' ' ' PHE . 15.6 tp -50.89 -63.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 p -48.72 -57.26 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -52.69 -16.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.526 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 1.7 t60 -96.48 -35.77 11.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -57.78 -27.97 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.8 ptm180 -59.63 -18.86 45.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.526 ' CG2' ' O ' ' A' ' 29' ' ' HIS . 7.1 pt -68.17 -33.43 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.0 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.856 0.273 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.595 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -95.7 101.98 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.71 136.85 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 17' ' ' GLY . 48.8 t -65.71 117.51 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 26.2 t-20 -71.07 -11.35 60.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.68 -45.39 15.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.57 -37.76 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.68 40.78 2.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 6.5 ttmm -104.31 119.94 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.5 p -76.79 158.79 30.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 26' ' ' LEU . 96.8 m-85 -145.1 136.22 24.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 22' ' ' GLN . 18.5 ptt-85 -73.23 -34.91 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.466 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 30.9 mt-30 -100.8 173.72 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.457 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 12.4 m -92.63 -41.72 10.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 t -65.33 -33.76 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.6 m -55.68 -66.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 20' ' ' PHE . 57.0 tp -45.51 -56.5 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.7 t -52.96 -55.26 24.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -59.22 -11.71 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CE1' HD13 ' A' ' 32' ' ' ILE . 1.4 t60 -96.39 -37.48 10.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -54.8 -36.15 64.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 13.0 ptp180 -49.34 -22.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.55 HD13 ' CE1' ' A' ' 29' ' ' HIS . 5.4 pt -65.79 -34.52 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' NE2' HD11 ' A' ' 32' ' ' ILE . 83.8 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.856 0.273 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -97.2 102.06 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.09 145.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' GLY . 48.3 t -73.81 112.41 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.81 -3.58 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -90.68 -42.81 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.4 p -117.71 -37.63 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.89 41.72 2.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.542 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 37.8 tttt -107.47 118.22 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.0 p -74.06 154.74 39.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.538 ' CD2' ' HB2' ' A' ' 26' ' ' LEU . 96.9 m-85 -138.06 166.54 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 19.6 ttp-105 -91.93 -50.16 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -103.05 165.47 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.468 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 57.0 p -69.01 -41.55 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 m -60.31 -51.3 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 m -38.87 -63.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 37.4 tp -53.85 -64.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLN . 3.1 m -44.31 -66.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 8.7 tppt? -44.67 -21.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.576 ' CE1' HD11 ' A' ' 32' ' ' ILE . 1.9 t60 -94.73 -32.47 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' SER . 26.7 mt-30 -60.17 -36.35 77.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.4 ptm180 -50.42 -19.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.576 HD11 ' CE1' ' A' ' 29' ' ' HIS . 4.4 pt -68.16 -33.83 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.404 ' NE2' HD12 ' A' ' 32' ' ' ILE . 78.1 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.835 0.264 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.4 mt -98.6 105.24 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -121.31 139.97 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 17' ' ' GLY . 53.2 t -68.86 119.34 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.62 -17.47 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.47 -42.78 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -117.67 -38.0 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.4 42.24 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -109.93 124.23 51.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.7 p -76.42 157.68 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CZ ' ' CG ' ' A' ' 29' ' ' HIS . 66.1 m-85 -143.25 171.2 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -75.07 -61.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -135.72 171.83 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' CYS . 33.0 p -49.0 -64.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' SER . 51.4 p -33.56 -36.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -76.65 -64.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 tp -49.51 -50.41 41.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' GLN . 9.5 t -52.56 -62.58 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -43.51 -26.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.608 ' CE1' HD12 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -94.37 -28.67 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.9 mm-40 -65.38 -16.5 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.2 ptm180 -82.43 -8.68 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.608 HD12 ' CE1' ' A' ' 29' ' ' HIS . 3.4 pt -73.85 -26.83 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.883 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.844 0.268 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -94.3 102.02 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -121.89 144.46 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.468 ' N ' HD11 ' A' ' 26' ' ' LEU . 33.7 t -72.9 113.39 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -68.75 -3.33 11.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.549 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 8.2 mm-40 -89.21 -43.78 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -115.74 -37.72 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.98 40.91 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 54.9 tttp -110.24 125.34 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 p -76.84 160.41 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.545 ' CE1' HD12 ' A' ' 26' ' ' LEU . 82.5 m-85 -142.19 167.45 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 21' ' ' ARG . 12.3 mtp-105 -92.89 -45.59 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -110.11 160.46 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.45 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 68.8 p -67.64 -49.15 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 23.3 t -53.49 -38.89 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.4 m -57.16 -60.07 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.545 HD12 ' CE1' ' A' ' 20' ' ' PHE . 29.0 tp -56.36 -62.0 2.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.6 p -50.69 -56.52 11.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 24' ' ' SER . 27.7 ttmt -54.81 -14.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.531 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 1.9 t60 -96.55 -36.3 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -55.84 -34.57 65.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -50.1 -22.41 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.531 ' CG2' ' O ' ' A' ' 29' ' ' HIS . 8.1 pt -66.27 -34.71 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.2 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.811 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.767 0.236 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.452 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 10.8 mt -97.99 111.17 23.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.87 140.82 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' A' ' 17' ' ' GLY . 35.5 t -69.75 117.68 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -71.59 -16.81 62.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' CD ' ' HB2' ' A' ' 33' ' ' HIS . 3.2 mt-10 -73.18 -44.12 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.3 p -117.14 -37.99 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.87 41.91 2.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -107.99 123.5 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.5 p -77.97 153.27 32.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -135.05 169.6 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -34.18 10.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -119.59 155.75 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -62.55 -49.72 74.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 t -59.37 -39.35 83.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.59 -42.98 84.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 14.7 tp -74.58 -51.57 14.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -54.72 -57.48 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 7.5 pttp -47.86 -27.52 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.568 ' CE1' HD12 ' A' ' 32' ' ' ILE . 2.1 t60 -94.27 -28.26 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.14 -13.98 61.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 11.9 ptp180 -90.0 -9.09 49.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 29' ' ' HIS . 3.1 pt -70.88 -28.57 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.432 ' HB2' ' CD ' ' A' ' 15' ' ' GLU . 88.1 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.826 0.261 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 40.6 mt -94.02 111.85 23.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.85 135.14 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' GLY . 49.3 t -64.3 119.27 9.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -74.22 -9.58 58.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -82.38 -43.61 17.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.89 -37.98 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.94 41.77 2.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -107.11 119.88 40.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.4 p -80.31 152.14 29.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -139.51 156.45 46.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -86.91 -48.32 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -95.36 154.03 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.452 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 16.7 m -67.07 -34.76 78.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.3 t -69.02 -31.01 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.3 m -59.01 -50.26 74.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.87 -54.81 16.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -54.37 -58.31 7.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -57.34 -11.96 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.586 ' CE1' HD11 ' A' ' 32' ' ' ILE . 1.4 t60 -96.65 -36.52 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -56.39 -34.75 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.9 ptp180 -49.37 -22.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.586 HD11 ' CE1' ' A' ' 29' ' ' HIS . 6.2 pt -68.27 -34.42 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.874 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -59.65 118.19 5.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -57.39 -46.63 83.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.39 -48.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m 53.61 41.96 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -74.18 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.37 -113.26 0.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 tttm 68.04 42.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.9 138.51 82.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.697 . . . . 0.0 110.906 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 168.94 20.01 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.681 2.254 . . . . 0.0 112.377 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 23.1 mt -106.36 102.68 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.12 146.18 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' GLY . 26.5 t -72.97 111.06 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -67.92 -3.8 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.52 -43.6 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.83 -37.29 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 103.43 41.56 2.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -107.43 119.93 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.1 p -80.18 146.36 31.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.498 ' CE1' HD12 ' A' ' 26' ' ' LEU . 70.4 m-85 -130.61 167.87 18.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -95.9 -48.58 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -93.05 164.14 13.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.458 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 75.4 p -79.86 -41.79 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.3 t -64.82 -31.69 73.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 m -60.01 -66.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 20' ' ' PHE . 14.4 tp -47.61 -56.46 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.3 t -53.04 -58.6 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 70.8 mttt -53.61 -15.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.534 ' CE1' HD13 ' A' ' 32' ' ' ILE . 2.7 t60 -95.04 -36.26 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -57.8 -36.86 72.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -49.34 -21.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.534 HD13 ' CE1' ' A' ' 29' ' ' HIS . 4.8 pt -66.44 -34.99 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.42 ' NE2' HD11 ' A' ' 32' ' ' ILE . 76.8 m-70 -89.72 -46.48 8.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 t -94.97 119.63 33.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.04 -120.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.08 172.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.9 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -70.17 152.89 95.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 92.99 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 t -73.76 -54.2 8.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.51 -118.93 0.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 2.52 3.45 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 m -77.82 -61.16 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.6 t -79.97 -59.79 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.1 -0.834 . . . . 0.0 112.497 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -96.79 172.33 7.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -138.73 112.46 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.0 141.16 2.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -74.67 139.36 43.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 p -80.63 -56.73 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.58 -140.33 2.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -123.66 175.55 6.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -109.7 148.83 38.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.72 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 167.16 25.23 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.391 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 21.0 mt -105.09 105.22 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.76 146.46 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' GLY . 49.1 t -72.27 118.7 15.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -73.15 -10.52 59.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 18.6 mm-40 -82.58 -43.65 16.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.37 -37.83 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.6 41.76 2.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 55.4 tttt -107.82 119.72 40.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.2 p -71.77 155.93 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CE1' ' O ' ' A' ' 18' ' ' LYS . 84.5 m-85 -142.1 160.12 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.11 -45.95 7.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -100.09 151.23 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.441 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 29.1 m -65.1 -57.46 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 23.2 t -51.51 -31.98 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.69 -59.63 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 34.0 tp -58.48 -55.44 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -47.13 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 24' ' ' SER . 3.1 tmmm? -63.38 -13.95 44.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.533 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 1.9 t60 -96.42 -36.45 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -56.27 -34.87 66.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 1.9 ptt180 -50.05 -21.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.533 ' CG2' ' O ' ' A' ' 29' ' ' HIS . 6.8 pt -68.45 -33.74 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.1 m-70 -87.65 -44.94 10.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' HIS . 1.1 t -36.6 -52.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.12 144.76 10.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -141.87 169.96 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.53 143.57 89.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 173.0 11.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -120.31 166.27 13.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.59 168.63 5.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 177.44 5.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.4 m 61.9 41.67 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.3 t -77.87 -58.05 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.491 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 t -90.81 148.06 22.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 m -99.24 173.13 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.9 72.25 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -148.78 123.62 9.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -88.7 -50.43 6.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.57 47.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -127.53 155.37 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -103.44 154.87 37.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 163.84 36.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 56.8 mt -99.0 104.16 16.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.0 144.06 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' GLY . 44.8 t -72.79 118.25 15.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -71.32 -11.34 60.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.68 -46.03 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 p -115.03 -37.95 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.51 41.24 2.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.55 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 36.6 tttm -104.91 117.96 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.8 p -73.4 160.76 31.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.55 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 92.0 m-85 -148.76 166.41 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -107.07 -37.9 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -102.55 136.98 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -51.81 -37.63 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -67.33 -43.58 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 m -47.37 -54.14 11.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 16.9 tp -65.63 -59.88 3.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 m -49.27 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 62.2 mmtt -50.37 -16.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.569 ' CE1' HD13 ' A' ' 32' ' ' ILE . 2.0 t60 -95.67 -36.08 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.5 -29.76 64.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.1 ptt180 -57.86 -20.52 37.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.569 HD13 ' CE1' ' A' ' 29' ' ' HIS . 5.9 pt -67.86 -33.81 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -93.23 -54.13 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.6 t -54.82 116.54 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.45 104.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -81.97 155.08 25.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -114.53 133.24 22.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.54 0.686 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 86.75 0.56 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.27 . . . . 0.0 112.378 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.5 p -124.57 119.57 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.49 -174.76 36.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.75 24.4 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -60.35 133.78 56.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.2 m -149.13 144.39 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.493 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -86.04 -46.99 9.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -142.58 103.88 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.83 -157.24 7.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 t -49.02 -44.65 41.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -122.22 128.23 50.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.04 143.65 12.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -157.49 142.17 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -67.25 139.73 95.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.546 0.689 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.58 21.13 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.312 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 41.2 mt -108.4 104.32 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.434 ' CG2' ' HA2' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -109.89 144.91 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' GLY . 22.3 t -70.53 116.34 10.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.06 -3.28 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.603 ' CD ' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -96.69 -49.76 4.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.4 p -109.8 -31.6 7.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 92.78 44.76 3.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.496 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 35.0 tttp -107.93 118.24 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.6 p -77.21 135.46 38.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 92.0 m-85 -124.43 149.32 46.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -72.99 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -80.05 169.0 18.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.451 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 3.5 t -85.22 -49.5 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.1 p -55.79 -34.27 65.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.2 m -56.65 -61.7 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 12.3 tp -50.74 -58.67 5.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -51.68 -57.85 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 24.0 mmmt -57.09 -13.58 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.529 ' CE1' HD13 ' A' ' 32' ' ' ILE . 2.7 t60 -95.13 -37.11 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -57.03 -37.04 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.2 ptt180 -48.52 -23.01 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.529 HD13 ' CE1' ' A' ' 29' ' ' HIS . 5.0 pt -65.24 -35.56 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -87.15 -50.06 6.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 t -57.28 157.78 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.6 -160.13 12.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 pm0 -90.45 148.13 22.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 152.56 92.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 175.42 8.14 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.274 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.1 m -80.97 123.24 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.6 -155.44 12.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 85.56 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -51.13 -49.63 60.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -48.45 -44.6 35.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.136 -0.814 . . . . 0.0 112.517 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -109.79 115.9 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -135.64 157.83 45.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.03 -99.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 p -131.62 131.51 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -56.62 -48.76 76.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.99 65.52 1.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -92.7 -50.99 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.09 139.3 52.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 161.89 44.19 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 15.7 mt -98.19 102.17 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -118.33 145.86 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' GLY . 25.2 t -70.72 110.8 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -69.34 -2.61 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.01 -42.39 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.7 -35.44 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.68 41.94 2.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -106.56 118.98 38.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.0 p -82.2 144.07 30.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -128.91 171.12 12.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -90.36 -50.97 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -105.66 169.33 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.466 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 49.9 p -75.79 -40.92 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.0 m -59.72 -39.14 83.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.3 m -59.19 -57.82 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.9 tp -58.13 -44.49 87.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 m -59.53 -59.7 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 26.6 mtmm -53.36 -15.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.566 ' CE1' HD11 ' A' ' 32' ' ' ILE . 2.6 t60 -94.64 -34.84 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' NE2' ' SG ' ' A' ' 13' ' ' CYS . 27.3 mm-40 -59.09 -36.1 74.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 4.1 ptm180 -50.77 -19.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 29' ' ' HIS . 4.4 pt -68.01 -32.94 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -92.32 -43.84 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.5 p -138.79 115.85 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.0 44.77 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -106.09 148.92 27.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.95 0.405 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' C ' ' H ' ' A' ' 39' ' ' SER . 6.6 mtpm? -66.27 136.77 95.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.541 0.686 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 39' ' ' SER . 53.3 Cg_endo -69.72 12.53 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 37' ' ' LYS . 6.8 m -33.81 -54.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.87 132.31 5.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -36.25 11.08 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.4 t -87.89 131.78 34.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.5 p -156.83 153.6 28.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.5 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 p -39.97 -58.52 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -99.86 140.89 33.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.12 118.02 9.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -77.66 167.05 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -85.25 110.1 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.79 109.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -80.85 14.16 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -72.74 152.05 91.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.565 0.698 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 168.4 21.67 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 13.3 mt -104.56 102.25 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -119.18 146.7 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' GLY . 30.4 t -73.85 112.73 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -69.49 -3.05 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -91.15 -44.03 9.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.83 -34.92 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 99.79 41.93 2.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -107.33 119.32 39.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.7 p -81.69 147.25 29.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -133.67 165.09 25.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -92.45 -47.7 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -92.83 167.23 11.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.416 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 4.5 t -80.62 -43.46 20.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.5 p -64.15 -32.71 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 m -57.39 -55.62 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 28.7 tp -63.46 -54.55 34.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.5 t -53.7 -59.74 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 31.7 mmtt -53.96 -14.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.57 ' CE1' HD13 ' A' ' 32' ' ' ILE . 2.9 t60 -95.73 -36.8 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.468 ' NE2' ' HA ' ' A' ' 13' ' ' CYS . 23.3 mm-40 -58.08 -35.12 70.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.6 ptm180 -49.42 -21.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.57 HD13 ' CE1' ' A' ' 29' ' ' HIS . 6.0 pt -68.25 -34.47 66.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -89.74 -45.93 8.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.8 p -38.3 -44.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.63 -92.39 0.39 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -60.33 170.83 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 39' ' ' SER . 16.1 ptpt -99.53 148.44 34.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 9.91 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 37' ' ' LYS . 78.2 p -42.21 -40.42 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.15 124.39 8.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.447 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 86.06 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.29 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 p -114.91 118.8 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.0 t -131.72 143.15 50.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.473 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -94.42 170.83 9.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -62.74 146.18 53.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.13 -46.06 3.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 m -61.79 146.63 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.825 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -141.45 139.55 33.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.98 79.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -85.84 -53.78 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -85.56 154.41 59.13 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 165.48 30.84 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.713 2.275 . . . . 0.0 112.367 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.7 mt -104.92 102.91 12.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.24 143.41 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.532 ' O ' ' N ' ' A' ' 17' ' ' GLY . 14.2 t -70.38 111.06 5.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -64.05 -10.64 23.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.598 ' CD ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -84.73 -52.7 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -108.04 -37.95 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.98 42.1 2.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -105.16 118.91 37.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 55.5 p -75.49 148.27 39.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -134.33 169.17 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -91.02 -62.02 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -95.97 174.92 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -76.59 -52.93 8.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 t -49.24 -35.43 17.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.9 m -60.81 -64.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.6 tp -53.56 -53.91 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.7 t -54.6 -57.05 12.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -54.8 -14.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.564 ' CE1' HD13 ' A' ' 32' ' ' ILE . 2.5 t60 -95.11 -36.27 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -57.55 -36.6 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.2 ptm180 -49.62 -20.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.564 HD13 ' CE1' ' A' ' 29' ' ' HIS . 4.6 pt -67.22 -34.35 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -88.03 -43.35 11.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -65.1 175.92 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.74 85.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -86.81 160.3 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 125.62 88.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.717 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 94.05 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -59.03 -53.34 59.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.24 153.93 20.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.9 Cg_endo -69.75 2.89 3.12 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.693 2.262 . . . . 0.0 112.373 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 41' ' ' PRO . 6.2 m -34.43 -61.78 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.4 m -91.92 -60.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 p -117.6 16.91 14.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -92.71 -59.33 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.58 -79.3 0.15 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 p -110.15 -36.54 5.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.92 0.39 . . . . 0.0 110.843 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -63.83 102.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.31 124.73 0.92 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt 42.32 31.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.433 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 13.9 ttmt -68.35 143.42 95.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.537 0.685 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 54.0 Cg_endo -69.69 174.0 10.09 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.666 2.244 . . . . 0.0 112.383 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.447 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 22.8 mt -107.6 103.09 12.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -120.87 145.87 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.085 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 17' ' ' GLY . 38.2 t -74.61 114.03 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.16 -3.15 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 7.7 mm-40 -90.6 -42.87 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.4 p -117.37 -36.2 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 100.11 42.51 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -110.42 120.59 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.8 p -76.91 150.69 35.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -133.02 175.75 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -89.02 -59.37 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -105.22 175.65 5.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -73.98 -63.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.1 t -38.73 -39.08 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -60.69 -61.28 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 20.4 tp -57.15 -53.82 53.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.9 p -55.56 -55.97 25.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 6.9 ttpt -54.71 -14.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.516 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 3.2 t60 -95.76 -37.25 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -56.99 -34.59 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 4.2 ptt180 -49.79 -22.52 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.516 ' CG2' ' O ' ' A' ' 29' ' ' HIS . 7.4 pt -66.72 -34.64 71.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.487 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 81.7 m-70 -87.48 -55.6 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t 55.5 40.33 31.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.71 -166.72 34.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -106.08 163.6 12.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -71.35 157.24 90.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.6 t 56.13 41.1 29.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.73 -125.55 2.51 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 2.58 3.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m 55.5 41.32 30.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 t -150.81 150.3 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.066 -0.852 . . . . 0.0 112.516 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -147.54 152.68 38.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -88.19 17.99 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.32 47.92 61.05 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -112.11 174.89 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -110.28 115.95 30.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.31 136.87 30.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.537 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -55.24 -49.02 73.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -91.94 138.49 24.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 165.65 30.18 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 14.7 mt -101.39 102.69 13.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 p -118.51 133.07 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -57.96 114.81 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -72.86 2.44 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -96.62 -46.12 6.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.61 -37.95 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.88 41.21 2.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -111.3 126.62 55.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.1 p -84.18 147.94 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CD1' HD12 ' A' ' 26' ' ' LEU . 63.5 m-85 -129.15 160.54 32.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -85.55 -52.81 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -93.94 170.23 9.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.436 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 4.9 t -80.07 -45.0 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 p -62.39 -35.19 78.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.06 -55.41 31.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 18.5 tp -60.0 -56.45 21.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.4 p -51.7 -60.02 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 24.3 mmtt -53.56 -14.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.51 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 2.7 t60 -95.37 -37.65 10.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.62 -27.93 65.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -59.69 -19.11 47.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.51 ' CG2' ' O ' ' A' ' 29' ' ' HIS . 6.4 pt -68.42 -33.56 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -87.02 -42.94 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -39.34 -60.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.63 102.84 0.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -84.76 162.99 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.46 135.47 65.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -173.52 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 p -68.25 174.41 3.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.93 -154.39 6.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 5.47 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.378 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 t -52.03 119.45 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.0 p -94.61 162.22 13.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.471 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -116.01 114.82 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -139.16 119.91 14.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.18 146.74 33.72 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -98.89 147.2 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.821 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.8 p -101.41 -37.73 8.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.43 49.85 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -67.34 -45.6 75.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.858 0.361 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -63.78 139.68 97.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.708 . . . . 0.0 110.868 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 161.53 45.56 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 22.3 mt -95.78 102.8 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -118.36 147.61 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.8 t -70.89 108.94 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.59 -2.11 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.45 -41.5 9.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.1 p -117.96 -37.3 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 104.67 40.6 2.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -105.69 119.88 40.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.9 p -82.6 146.45 29.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.8 169.45 16.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -93.4 -49.02 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -100.08 165.54 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.478 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 46.8 t -74.03 -52.21 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -53.4 -34.13 56.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.9 m -58.98 -62.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.0 tp -53.18 -52.46 58.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.6 m -55.15 -59.45 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 14.9 mtpp -53.59 -15.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.623 ' CE1' HD13 ' A' ' 32' ' ' ILE . 2.0 t60 -95.58 -36.06 11.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -58.28 -35.05 71.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 5.6 ptm180 -50.64 -20.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.623 HD13 ' CE1' ' A' ' 29' ' ' HIS . 5.4 pt -67.49 -32.75 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -92.98 -50.97 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.796 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 t 52.17 43.88 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.99 -57.9 3.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -135.03 142.39 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 39' ' ' SER . 28.0 mmtp -74.66 133.49 76.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.561 0.696 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 10.09 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.441 ' H ' ' C ' ' A' ' 37' ' ' LYS . 62.1 p -80.61 137.57 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.86 -156.67 17.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 106.65 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 p -161.03 160.32 30.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.3 m -124.73 119.62 29.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.529 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -156.12 150.61 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -48.43 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.76 -105.24 2.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -142.27 142.51 32.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -78.77 159.44 27.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.98 58.73 0.59 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -70.77 -46.41 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -65.62 142.47 98.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 169.48 18.81 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 18.9 mt -108.32 102.39 11.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.79 141.7 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' GLY . 31.4 t -71.19 112.42 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.32 -3.36 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -90.95 -43.66 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.8 p -117.48 -36.59 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.55 42.28 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -107.08 117.9 35.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.1 p -77.63 148.35 35.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -133.15 169.97 16.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -88.9 -46.87 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -111.81 170.53 8.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.7 m -78.52 -47.29 17.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.9 m -50.9 -40.6 57.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.0 -62.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 19.9 tp -51.17 -52.64 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -56.04 -54.99 38.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 42.3 mtmt -55.88 -12.98 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.512 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 1.9 t60 -96.49 -38.05 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -54.0 -34.75 60.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.3 ptp180 -48.81 -25.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 29' ' ' HIS . 8.7 pt -63.21 -35.29 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.415 ' NE2' HD13 ' A' ' 32' ' ' ILE . 82.1 m-70 -87.38 -29.15 21.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' HIS . 24.0 p -37.59 -41.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.31 41.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -83.44 18.0 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 137.7 22.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.577 0.703 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.03 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.344 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.5 t -58.05 -50.01 74.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.06 153.36 5.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 155.76 65.11 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.622 2.215 . . . . 0.0 112.367 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.5 m -136.54 121.61 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -58.82 -52.82 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.091 -0.839 . . . . 0.0 112.476 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -88.24 175.26 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -135.61 131.46 35.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.32 -74.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -107.38 147.72 29.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -75.01 -47.11 30.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.9 -148.19 4.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -147.95 134.14 19.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.353 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.493 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -66.51 144.12 98.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.493 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.7 Cg_endo -69.71 164.09 35.8 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 58.4 mt -98.61 104.74 16.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 p -123.77 127.91 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.9 t -56.74 114.29 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.24 0.67 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -94.13 -44.63 7.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.16 -37.92 4.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.39 41.87 2.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.534 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 49.7 tttt -110.07 119.59 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.1 p -79.4 155.69 28.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.534 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 73.5 m-85 -147.36 148.17 31.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG3' ' CD ' ' A' ' 22' ' ' GLN . 2.2 ptp180 -99.61 9.37 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' CD ' ' HG3' ' A' ' 21' ' ' ARG . 11.4 mp0 -137.49 117.51 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.406 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 23.2 t -50.66 -29.99 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.9 p -71.57 -41.93 68.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -55.8 -66.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 19.4 tp -45.91 -62.84 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 t -50.26 -59.07 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 31.7 mttp -58.58 -11.3 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.506 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 1.5 t60 -96.58 -38.14 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -54.37 -34.74 61.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.6 ptt180 -49.4 -23.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 29' ' ' HIS . 7.3 pt -67.01 -34.87 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -89.34 -45.34 9.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 m -157.77 103.23 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.53 -142.54 0.15 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -81.11 145.54 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -110.82 132.34 21.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 92.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.1 m -83.1 161.9 21.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.23 156.08 8.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 123.2 9.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -91.7 -48.41 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t -154.65 163.25 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.453 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -73.16 153.39 40.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.819 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -67.96 152.09 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.89 -48.67 0.94 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -108.04 137.32 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -78.66 -55.22 5.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.18 -51.76 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -66.88 -51.9 49.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -76.92 158.01 80.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.871 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 162.17 43.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 81.7 mt -96.54 102.03 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.52 148.77 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' GLY . 44.7 t -77.11 118.91 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -71.92 -13.16 61.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.21 -45.94 30.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.96 -37.95 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 106.63 35.91 2.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 7.8 ttmm -96.85 120.31 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.6 p -79.15 159.15 27.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 89.0 m-85 -152.45 156.1 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -90.57 -50.43 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -86.47 151.02 23.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 2.5 t -65.9 -35.45 80.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 73.5 m -70.43 -27.35 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB3' ' CD1' ' A' ' 20' ' ' PHE . 4.7 m -60.52 -50.92 71.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.5 tp -67.27 -59.27 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 p -53.26 -56.8 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' SER . 20.4 ttpt -58.02 -11.65 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.53 ' CE1' HD12 ' A' ' 32' ' ' ILE . 1.5 t60 -96.71 -37.35 10.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -54.02 -35.04 61.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 5.6 ptm180 -50.36 -22.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.53 HD12 ' CE1' ' A' ' 29' ' ' HIS . 6.9 pt -66.77 -33.7 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -91.17 -44.2 9.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' GLY . 13.6 t -63.78 167.35 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -37.27 154.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.03 17.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 2.2 ttmp? -61.35 139.52 94.74 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 54.2 Cg_endo -69.72 175.09 8.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 m -149.44 164.03 36.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.59 -148.02 0.13 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' SER . 54.1 Cg_endo -69.76 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.64 2.227 . . . . 0.0 112.389 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PRO . 32.6 t -34.49 -43.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.1 t -82.35 -55.26 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.456 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.7 m -109.95 162.6 14.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.845 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -129.96 124.82 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.47 46.95 36.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -76.85 -46.77 23.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -49.53 -49.5 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.97 73.57 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -69.23 -58.12 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -118.83 139.41 27.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 168.57 21.11 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.662 2.241 . . . . 0.0 112.395 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -97.71 102.02 13.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -120.96 141.37 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 17' ' ' GLY . 41.9 t -69.52 118.88 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -71.39 -10.07 59.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 6.5 mm-40 -83.4 -45.33 13.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -115.13 -37.9 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.38 41.64 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -106.62 120.11 41.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.0 p -73.76 155.4 38.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CE1' HD12 ' A' ' 26' ' ' LEU . 92.6 m-85 -137.91 168.89 18.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -90.6 -48.23 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -110.82 170.92 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.423 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 29.2 t -75.71 -44.41 42.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -54.83 -43.58 73.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.53 -63.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD12 ' CE1' ' A' ' 20' ' ' PHE . 15.6 tp -50.89 -63.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 p -48.72 -57.26 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -52.69 -16.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.526 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 1.7 t60 -96.48 -35.77 11.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -57.78 -27.97 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.8 ptm180 -59.63 -18.86 45.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.526 ' CG2' ' O ' ' A' ' 29' ' ' HIS . 7.1 pt -68.17 -33.43 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.0 m-70 -87.63 -53.47 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -62.54 146.72 51.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.59 73.92 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -108.77 175.76 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -72.63 141.76 82.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.715 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 103.43 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 t -152.05 121.73 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.806 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.23 160.85 8.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 5.29 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -78.2 9.27 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -66.45 122.84 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.473 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m -112.67 144.41 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -87.33 128.51 35.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.28 -73.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 p -65.02 -46.4 81.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 110.821 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 m -58.43 -46.21 86.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.94 -158.91 27.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' C ' ' HD2' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -147.11 141.07 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.876 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -74.83 150.37 86.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.512 0.673 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 167.86 23.27 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.595 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -95.7 101.98 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.71 136.85 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 17' ' ' GLY . 48.8 t -65.71 117.51 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 26.2 t-20 -71.07 -11.35 60.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.68 -45.39 15.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.57 -37.76 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.68 40.78 2.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 6.5 ttmm -104.31 119.94 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.5 p -76.79 158.79 30.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 26' ' ' LEU . 96.8 m-85 -145.1 136.22 24.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 22' ' ' GLN . 18.5 ptt-85 -73.23 -34.91 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.466 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 30.9 mt-30 -100.8 173.72 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.457 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 12.4 m -92.63 -41.72 10.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 t -65.33 -33.76 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.6 m -55.68 -66.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 20' ' ' PHE . 57.0 tp -45.51 -56.5 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.7 t -52.96 -55.26 24.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -59.22 -11.71 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CE1' HD13 ' A' ' 32' ' ' ILE . 1.4 t60 -96.39 -37.48 10.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -54.8 -36.15 64.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 13.0 ptp180 -49.34 -22.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.55 HD13 ' CE1' ' A' ' 29' ' ' HIS . 5.4 pt -65.79 -34.52 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.408 ' NE2' HD11 ' A' ' 32' ' ' ILE . 83.8 m-70 -90.5 -42.52 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 t -43.81 -44.65 6.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.31 78.09 0.99 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -108.99 176.41 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.943 0.401 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -78.6 152.34 77.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.63 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t 58.13 41.99 22.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.62 -159.5 30.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 142.76 49.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.274 . . . . 0.0 112.37 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -123.0 156.69 34.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.9 m -83.3 166.42 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.456 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.9 p -96.9 130.18 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -124.77 156.07 38.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.24 62.0 0.39 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -98.0 105.6 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -134.63 123.36 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.62 -74.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -41.37 -39.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -64.74 149.59 95.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.63 16.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.617 2.211 . . . . 0.0 112.321 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -97.2 102.06 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.09 145.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' GLY . 48.3 t -73.81 112.41 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.81 -3.58 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -90.68 -42.81 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.4 p -117.71 -37.63 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.89 41.72 2.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.542 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 37.8 tttt -107.47 118.22 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.0 p -74.06 154.74 39.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.538 ' CD2' ' HB2' ' A' ' 26' ' ' LEU . 96.9 m-85 -138.06 166.54 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 19.6 ttp-105 -91.93 -50.16 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -103.05 165.47 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.468 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 57.0 p -69.01 -41.55 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 m -60.31 -51.3 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 m -38.87 -63.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 37.4 tp -53.85 -64.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLN . 3.1 m -44.31 -66.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 8.7 tppt? -44.67 -21.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.576 ' CE1' HD11 ' A' ' 32' ' ' ILE . 1.9 t60 -94.73 -32.47 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' SER . 26.7 mt-30 -60.17 -36.35 77.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.4 ptm180 -50.42 -19.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.576 HD11 ' CE1' ' A' ' 29' ' ' HIS . 4.4 pt -68.16 -33.83 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.404 ' NE2' HD12 ' A' ' 32' ' ' ILE . 78.1 m-70 -91.83 -52.57 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 t 55.3 41.95 30.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.81 64.33 4.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -83.6 160.67 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.943 0.401 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.72 115.65 22.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.53 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.607 2.205 . . . . 0.0 112.363 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.1 t -156.31 110.56 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.51 -162.99 15.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.79 63.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -54.27 172.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.8 p -59.17 -45.65 90.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.429 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' GLY . 6.5 t -37.96 -54.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 t -86.88 142.26 28.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.66 -116.96 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 t -130.48 151.7 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -89.56 -47.14 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.44 94.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -46.08 -33.33 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -83.01 153.95 67.08 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.859 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.85 48.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.4 mt -98.6 105.24 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -121.31 139.97 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 17' ' ' GLY . 53.2 t -68.86 119.34 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.62 -17.47 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.47 -42.78 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -117.67 -38.0 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.4 42.24 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -109.93 124.23 51.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.7 p -76.42 157.68 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CZ ' ' CG ' ' A' ' 29' ' ' HIS . 66.1 m-85 -143.25 171.2 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -75.07 -61.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -135.72 171.83 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' CYS . 33.0 p -49.0 -64.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' SER . 51.4 p -33.56 -36.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -76.65 -64.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 tp -49.51 -50.41 41.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' GLN . 9.5 t -52.56 -62.58 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -43.51 -26.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.608 ' CE1' HD12 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -94.37 -28.67 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.9 mm-40 -65.38 -16.5 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.2 ptm180 -82.43 -8.68 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.608 HD12 ' CE1' ' A' ' 29' ' ' HIS . 3.4 pt -73.85 -26.83 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -91.96 -39.22 11.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.4 p -85.9 12.05 10.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.37 -124.91 5.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 mp0 -88.81 169.36 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -93.83 141.67 24.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 110.02 2.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.6 t -88.47 145.44 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.3 178.76 43.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.541 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.33 19.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.0 p -51.38 -52.37 46.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.2 p -152.3 169.75 21.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.485 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -145.23 131.13 19.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -121.42 171.77 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.94 -55.53 0.51 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -61.54 156.45 19.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -49.76 -43.7 48.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.33 -74.13 1.73 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -43.31 -58.03 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.92 137.25 94.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.536 0.684 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.95 11.68 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.754 2.303 . . . . 0.0 112.332 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -94.3 102.02 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -121.89 144.46 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.468 ' N ' HD11 ' A' ' 26' ' ' LEU . 33.7 t -72.9 113.39 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -68.75 -3.33 11.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.549 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 8.2 mm-40 -89.21 -43.78 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -115.74 -37.72 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.98 40.91 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 12' ' ' VAL . 54.9 tttp -110.24 125.34 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 p -76.84 160.41 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.545 ' CE1' HD12 ' A' ' 26' ' ' LEU . 82.5 m-85 -142.19 167.45 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 21' ' ' ARG . 12.3 mtp-105 -92.89 -45.59 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -110.11 160.46 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.45 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 68.8 p -67.64 -49.15 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 23.3 t -53.49 -38.89 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.4 m -57.16 -60.07 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.545 HD12 ' CE1' ' A' ' 20' ' ' PHE . 29.0 tp -56.36 -62.0 2.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.6 p -50.69 -56.52 11.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 24' ' ' SER . 27.7 ttmt -54.81 -14.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.531 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 1.9 t60 -96.55 -36.3 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -55.84 -34.57 65.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -50.1 -22.41 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.531 ' CG2' ' O ' ' A' ' 29' ' ' HIS . 8.1 pt -66.27 -34.71 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.2 m-70 -87.85 -45.58 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.811 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.0 m -43.07 -49.16 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.06 150.37 37.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -127.47 145.96 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -88.24 155.86 51.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.573 0.701 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 84.34 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.382 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.9 p -116.68 -34.82 4.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.12 -114.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.44 2.78 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -124.48 153.42 42.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.4 m -107.88 164.29 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.471 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -143.28 164.79 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -137.25 122.96 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.47 148.25 40.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.453 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -58.77 -46.22 88.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -128.1 177.36 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.74 -64.56 3.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -129.26 155.87 44.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -112.04 143.1 28.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 159.18 54.38 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.725 2.284 . . . . 0.0 112.363 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.452 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 10.8 mt -97.99 111.17 23.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.87 140.82 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' A' ' 17' ' ' GLY . 35.5 t -69.75 117.68 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -71.59 -16.81 62.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' CD ' ' HB2' ' A' ' 33' ' ' HIS . 3.2 mt-10 -73.18 -44.12 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.3 p -117.14 -37.99 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.87 41.91 2.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -107.99 123.5 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.5 p -77.97 153.27 32.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -135.05 169.6 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -34.18 10.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -119.59 155.75 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -62.55 -49.72 74.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 t -59.37 -39.35 83.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.59 -42.98 84.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 14.7 tp -74.58 -51.57 14.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -54.72 -57.48 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 7.5 pttp -47.86 -27.52 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.568 ' CE1' HD12 ' A' ' 32' ' ' ILE . 2.1 t60 -94.27 -28.26 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.14 -13.98 61.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 11.9 ptp180 -90.0 -9.09 49.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 29' ' ' HIS . 3.1 pt -70.88 -28.57 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.432 ' HB2' ' CD ' ' A' ' 15' ' ' GLU . 88.1 m-70 -86.1 -43.41 13.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 m -47.17 -37.7 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -38.94 155.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -82.07 18.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -80.53 121.71 81.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 97.92 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.367 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -65.93 -42.73 89.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -154.95 133.99 4.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 m -54.66 -65.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.436 ' HG ' ' N ' ' A' ' 44' ' ' GLY . 90.2 p -64.44 -39.46 93.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 43' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -117.84 121.29 40.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -70.25 -45.4 66.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.17 -123.08 5.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -86.58 131.62 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -86.56 -51.69 6.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.65 -124.61 1.06 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -116.45 155.49 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 154.69 38.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 110.927 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 157.82 58.97 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 40.6 mt -94.02 111.85 23.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.85 135.14 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' GLY . 49.3 t -64.3 119.27 9.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -74.22 -9.58 58.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -82.38 -43.61 17.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.89 -37.98 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.94 41.77 2.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -107.11 119.88 40.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.4 p -80.31 152.14 29.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -139.51 156.45 46.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -86.91 -48.32 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -95.36 154.03 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.452 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 16.7 m -67.07 -34.76 78.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.3 t -69.02 -31.01 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.3 m -59.01 -50.26 74.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.87 -54.81 16.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -54.37 -58.31 7.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -57.34 -11.96 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.586 ' CE1' HD11 ' A' ' 32' ' ' ILE . 1.4 t60 -96.65 -36.52 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -56.39 -34.75 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.9 ptp180 -49.37 -22.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.586 HD11 ' CE1' ' A' ' 29' ' ' HIS . 6.2 pt -68.27 -34.42 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -88.55 -52.54 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -55.61 -46.33 77.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.03 114.55 0.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.606 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 6.0 tt0 -98.59 12.32 35.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.394 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -74.47 136.12 75.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.54 0.686 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 173.92 10.32 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 p -123.82 153.26 41.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.02 -119.86 2.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 0.78 5.18 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -74.91 113.68 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.1 p -161.02 158.95 28.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.803 0.251 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.725 ' HB3' HD22 ' A' ' 26' ' ' LEU . 23.1 mt -106.36 102.68 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.671 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -119.12 146.18 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' GLY . 26.5 t -72.97 111.06 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -67.92 -3.8 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.52 -43.6 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.83 -37.29 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 103.43 41.56 2.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -107.43 119.93 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.671 HG22 ' HB ' ' A' ' 12' ' ' VAL . 76.1 p -80.18 146.36 31.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -130.61 167.87 18.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -95.9 -48.58 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -93.05 164.14 13.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.462 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 75.4 p -79.86 -41.79 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.3 t -64.82 -31.69 73.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 m -60.01 -66.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 11' ' ' LEU . 14.4 tp -47.61 -56.46 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.3 t -53.04 -58.6 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 70.8 mttt -53.61 -15.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.878 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 t60 -95.04 -36.26 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -57.8 -36.86 72.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -49.34 -21.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.878 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.8 pt -66.44 -34.99 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.512 ' NE2' HD11 ' A' ' 32' ' ' ILE . 76.8 m-70 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.802 0.251 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 21.0 mt -105.09 105.22 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.436 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -121.76 146.46 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' GLY . 49.1 t -72.27 118.7 15.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -73.15 -10.52 59.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -82.58 -43.65 16.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.37 -37.83 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.6 41.76 2.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 55.4 tttt -107.82 119.72 40.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.436 HG22 ' HB ' ' A' ' 12' ' ' VAL . 75.2 p -71.77 155.93 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CD1' HD13 ' A' ' 26' ' ' LEU . 84.5 m-85 -142.1 160.12 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.11 -45.95 7.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -100.09 151.23 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.446 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 29.1 m -65.1 -57.46 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 23.2 t -51.51 -31.98 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.69 -59.63 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 20' ' ' PHE . 34.0 tp -58.48 -55.44 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -47.13 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 3.1 tmmm? -63.38 -13.95 44.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.93 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -96.42 -36.45 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -56.27 -34.87 66.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 1.9 ptt180 -50.05 -21.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.93 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.8 pt -68.45 -33.74 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.504 ' CE1' HD11 ' A' ' 32' ' ' ILE . 31.8 m80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.173 0 CA-C-O 120.801 0.25 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.756 ' HB3' HD22 ' A' ' 26' ' ' LEU . 56.8 mt -99.0 104.16 16.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.517 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -121.0 144.06 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' GLY . 44.8 t -72.79 118.25 15.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -71.32 -11.34 60.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.68 -46.03 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 p -115.03 -37.95 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.51 41.24 2.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.55 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 36.6 tttm -104.91 117.96 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.517 HG22 ' HB ' ' A' ' 12' ' ' VAL . 82.8 p -73.4 160.76 31.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.55 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 92.0 m-85 -148.76 166.41 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -107.07 -37.9 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -102.55 136.98 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -51.81 -37.63 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -67.33 -43.58 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 m -47.37 -54.14 11.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.756 HD22 ' HB3' ' A' ' 11' ' ' LEU . 16.9 tp -65.63 -59.88 3.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 m -49.27 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 62.2 mmtt -50.37 -16.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.887 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.0 t60 -95.67 -36.08 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.5 -29.76 64.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.1 ptt180 -57.86 -20.52 37.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.887 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.9 pt -67.86 -33.81 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.599 ' NE2' HD11 ' A' ' 32' ' ' ILE . 83.6 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.823 0.26 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.83 ' HB3' HD22 ' A' ' 26' ' ' LEU . 41.2 mt -108.4 104.32 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.559 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.2 OUTLIER -109.89 144.91 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' GLY . 22.3 t -70.53 116.34 10.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.06 -3.28 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.603 ' CD ' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -96.69 -49.76 4.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.4 p -109.8 -31.6 7.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 92.78 44.76 3.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.496 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 35.0 tttp -107.93 118.24 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 12' ' ' VAL . 44.6 p -77.21 135.46 38.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 92.0 m-85 -124.43 149.32 46.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -72.99 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -80.05 169.0 18.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.456 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 3.5 t -85.22 -49.5 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.1 p -55.79 -34.27 65.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.2 m -56.65 -61.7 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 11' ' ' LEU . 12.3 tp -50.74 -58.67 5.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -51.68 -57.85 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 24.0 mmmt -57.09 -13.58 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 t60 -95.13 -37.11 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -57.03 -37.04 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.2 ptt180 -48.52 -23.01 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.0 pt -65.24 -35.56 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.409 ' NE2' HD11 ' A' ' 32' ' ' ILE . 78.6 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.837 0.266 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' HB3' HD23 ' A' ' 26' ' ' LEU . 15.7 mt -98.19 102.17 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.755 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -118.33 145.86 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' GLY . 25.2 t -70.72 110.8 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -69.34 -2.61 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.01 -42.39 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.7 -35.44 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.68 41.94 2.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -106.56 118.98 38.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.755 HG22 ' HB ' ' A' ' 12' ' ' VAL . 68.0 p -82.2 144.07 30.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.469 ' CD1' HD13 ' A' ' 26' ' ' LEU . 53.0 m-85 -128.91 171.12 12.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -90.36 -50.97 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -105.66 169.33 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 49.9 p -75.79 -40.92 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.0 m -59.72 -39.14 83.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.3 m -59.19 -57.82 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' A' ' 11' ' ' LEU . 19.9 tp -58.13 -44.49 87.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 m -59.53 -59.7 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 26.6 mtmm -53.36 -15.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.6 t60 -94.64 -34.84 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' NE2' ' SG ' ' A' ' 13' ' ' CYS . 27.3 mm-40 -59.09 -36.1 74.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 4.1 ptm180 -50.77 -19.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.4 pt -68.01 -32.94 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.529 ' NE2' HD11 ' A' ' 32' ' ' ILE . 74.4 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.865 0.277 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 13.3 mt -104.56 102.25 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.759 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -119.18 146.7 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' GLY . 30.4 t -73.85 112.73 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -69.49 -3.05 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -91.15 -44.03 9.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.83 -34.92 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 99.79 41.93 2.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -107.33 119.32 39.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.759 HG22 ' HB ' ' A' ' 12' ' ' VAL . 76.7 p -81.69 147.25 29.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -133.67 165.09 25.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -92.45 -47.7 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -92.83 167.23 11.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.421 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 4.5 t -80.62 -43.46 20.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.5 p -64.15 -32.71 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 m -57.39 -55.62 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 28.7 tp -63.46 -54.55 34.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.5 t -53.7 -59.74 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 31.7 mmtt -53.96 -14.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.886 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.9 t60 -95.73 -36.8 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' A' ' 13' ' ' CYS . 23.3 mm-40 -58.08 -35.12 70.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.6 ptm180 -49.42 -21.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.886 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.0 pt -68.25 -34.47 66.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.505 ' NE2' HD11 ' A' ' 32' ' ' ILE . 79.8 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.822 0.259 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.732 ' HB3' HD22 ' A' ' 26' ' ' LEU . 54.7 mt -104.92 102.91 12.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.474 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.2 OUTLIER -116.24 143.41 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.532 ' O ' ' N ' ' A' ' 17' ' ' GLY . 14.2 t -70.38 111.06 5.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -64.05 -10.64 23.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.598 ' CD ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -84.73 -52.7 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -108.04 -37.95 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.98 42.1 2.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -105.16 118.91 37.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.474 HG22 ' HB ' ' A' ' 12' ' ' VAL . 55.5 p -75.49 148.27 39.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -134.33 169.17 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -91.02 -62.02 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -95.97 174.92 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -76.59 -52.93 8.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 t -49.24 -35.43 17.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.9 m -60.81 -64.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 11' ' ' LEU . 7.6 tp -53.56 -53.91 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.7 t -54.6 -57.05 12.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -54.8 -14.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.883 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.5 t60 -95.11 -36.27 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -57.55 -36.6 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.2 ptm180 -49.62 -20.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.6 pt -67.22 -34.35 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 179.887 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.212 0 CA-C-O 120.829 0.262 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' A' ' 23' ' ' SER . 22.8 mt -107.6 103.09 12.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.561 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.4 OUTLIER -120.87 145.87 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.085 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 17' ' ' GLY . 38.2 t -74.61 114.03 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.16 -3.15 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -90.6 -42.87 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.4 p -117.37 -36.2 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 100.11 42.51 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -110.42 120.59 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.561 HG22 ' HB ' ' A' ' 12' ' ' VAL . 71.8 p -76.91 150.69 35.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -133.02 175.75 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -89.02 -59.37 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -105.22 175.65 5.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.664 ' HA ' HD13 ' A' ' 11' ' ' LEU . 15.6 m -73.98 -63.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.1 t -38.73 -39.08 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -60.69 -61.28 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' A' ' 11' ' ' LEU . 20.4 tp -57.15 -53.82 53.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.9 p -55.56 -55.97 25.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 6.9 ttpt -54.71 -14.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.917 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.2 t60 -95.76 -37.25 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -56.99 -34.59 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 4.2 ptt180 -49.79 -22.52 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.917 HG23 ' O ' ' A' ' 29' ' ' HIS . 7.4 pt -66.72 -34.64 71.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.587 ' CE1' HD11 ' A' ' 32' ' ' ILE . 31.6 m80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.209 0 CA-C-O 120.819 0.258 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.64 ' HB3' HD22 ' A' ' 26' ' ' LEU . 14.7 mt -101.39 102.69 13.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.741 ' HB ' HG22 ' A' ' 19' ' ' THR . 1.1 p -118.51 133.07 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -57.96 114.81 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -72.86 2.44 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -96.62 -46.12 6.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.61 -37.95 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.88 41.21 2.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -111.3 126.62 55.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.741 HG22 ' HB ' ' A' ' 12' ' ' VAL . 71.1 p -84.18 147.94 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -129.15 160.54 32.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -85.55 -52.81 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -93.94 170.23 9.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 4.9 t -80.07 -45.0 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 p -62.39 -35.19 78.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.06 -55.41 31.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 11' ' ' LEU . 18.5 tp -60.0 -56.45 21.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.4 p -51.7 -60.02 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 24.3 mmtt -53.56 -14.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.899 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 t60 -95.37 -37.65 10.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.62 -27.93 65.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -59.69 -19.11 47.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.899 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.4 pt -68.42 -33.56 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.832 0.263 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 22.3 mt -95.78 102.8 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.732 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -118.36 147.61 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.8 t -70.89 108.94 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.59 -2.11 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.45 -41.5 9.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.1 p -117.96 -37.3 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 104.67 40.6 2.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -105.69 119.88 40.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.732 HG22 ' HB ' ' A' ' 12' ' ' VAL . 76.9 p -82.6 146.45 29.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.8 169.45 16.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -93.4 -49.02 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -100.08 165.54 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 46.8 t -74.03 -52.21 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -53.4 -34.13 56.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.9 m -58.98 -62.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD22 ' C ' ' A' ' 11' ' ' LEU . 22.0 tp -53.18 -52.46 58.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.6 m -55.15 -59.45 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 14.9 mtpp -53.59 -15.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.896 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.0 t60 -95.58 -36.06 11.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -58.28 -35.05 71.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 5.6 ptm180 -50.64 -20.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.896 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.4 pt -67.49 -32.75 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.571 ' NE2' HD11 ' A' ' 32' ' ' ILE . 72.3 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.796 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.774 0.239 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.707 HD13 ' HA ' ' A' ' 23' ' ' SER . 18.9 mt -108.32 102.39 11.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -118.79 141.7 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' GLY . 31.4 t -71.19 112.42 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.32 -3.36 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -90.95 -43.66 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.8 p -117.48 -36.59 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.55 42.28 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -107.08 117.9 35.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.601 HG22 ' HB ' ' A' ' 12' ' ' VAL . 69.1 p -77.63 148.35 35.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -133.15 169.97 16.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -88.9 -46.87 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -111.81 170.53 8.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.707 ' HA ' HD13 ' A' ' 11' ' ' LEU . 69.7 m -78.52 -47.29 17.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.9 m -50.9 -40.6 57.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.0 -62.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 11' ' ' LEU . 19.9 tp -51.17 -52.64 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -56.04 -54.99 38.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 42.3 mtmt -55.88 -12.98 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.918 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -96.49 -38.05 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -54.0 -34.75 60.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.3 ptp180 -48.81 -25.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.918 HG23 ' O ' ' A' ' 29' ' ' HIS . 8.7 pt -63.21 -35.29 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.428 ' NE2' HD11 ' A' ' 32' ' ' ILE . 82.1 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.205 0 CA-C-O 120.779 0.241 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.86 ' HB3' HD22 ' A' ' 26' ' ' LEU . 58.4 mt -98.61 104.74 16.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.764 ' HB ' HG22 ' A' ' 19' ' ' THR . 1.5 p -123.77 127.91 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.9 t -56.74 114.29 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.24 0.67 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -94.13 -44.63 7.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.16 -37.92 4.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.39 41.87 2.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.534 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 49.7 tttt -110.07 119.59 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.764 HG22 ' HB ' ' A' ' 12' ' ' VAL . 71.1 p -79.4 155.69 28.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.534 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 73.5 m-85 -147.36 148.17 31.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.442 ' HG3' ' CD ' ' A' ' 22' ' ' GLN . 2.2 ptp180 -99.61 9.37 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.442 ' CD ' ' HG3' ' A' ' 21' ' ' ARG . 11.4 mp0 -137.49 117.51 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 23.2 t -50.66 -29.99 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.9 p -71.57 -41.93 68.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -55.8 -66.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.86 HD22 ' HB3' ' A' ' 11' ' ' LEU . 19.4 tp -45.91 -62.84 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 t -50.26 -59.07 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 31.7 mttp -58.58 -11.3 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.923 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -96.58 -38.14 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -54.37 -34.74 61.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.6 ptt180 -49.4 -23.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.923 HG23 ' O ' ' A' ' 29' ' ' HIS . 7.3 pt -67.01 -34.87 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' NE2' HD11 ' A' ' 32' ' ' ILE . 86.0 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.81 0.254 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.512 ' HB3' HD22 ' A' ' 26' ' ' LEU . 81.7 mt -96.54 102.03 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -118.52 148.77 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' GLY . 44.7 t -77.11 118.91 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -71.92 -13.16 61.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.503 ' CG ' HE22 ' A' ' 30' ' ' GLN . 4.1 mm-40 -76.21 -45.94 30.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.96 -37.95 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 106.63 35.91 2.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 7.8 ttmm -96.85 120.31 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.601 HG22 ' HB ' ' A' ' 12' ' ' VAL . 57.6 p -79.15 159.15 27.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 89.0 m-85 -152.45 156.1 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -90.57 -50.43 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -86.47 151.02 23.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.439 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 2.5 t -65.9 -35.45 80.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 73.5 m -70.43 -27.35 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 20' ' ' PHE . 4.7 m -60.52 -50.92 71.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 11' ' ' LEU . 18.5 tp -67.27 -59.27 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 p -53.26 -56.8 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' SER . 20.4 ttpt -58.02 -11.65 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.922 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -96.71 -37.35 10.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.503 HE22 ' CG ' ' A' ' 15' ' ' GLU . 2.3 mm100 -54.02 -35.04 61.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 5.6 ptm180 -50.36 -22.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.922 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.9 pt -66.77 -33.7 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.423 ' NE2' HD11 ' A' ' 32' ' ' ILE . 85.0 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.22 0 CA-C-O 120.825 0.26 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.864 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -97.71 102.02 13.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.475 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.4 OUTLIER -120.96 141.37 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 17' ' ' GLY . 41.9 t -69.52 118.88 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.46 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -71.39 -10.07 59.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -83.4 -45.33 13.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -115.13 -37.9 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.38 41.64 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -106.62 120.11 41.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.475 HG22 ' HB ' ' A' ' 12' ' ' VAL . 52.0 p -73.76 155.4 38.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.91 168.89 18.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -90.6 -48.23 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -110.82 170.92 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.489 ' HA ' HD23 ' A' ' 11' ' ' LEU . 29.2 t -75.71 -44.41 42.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -54.83 -43.58 73.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.53 -63.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 11' ' ' LEU . 15.6 tp -50.89 -63.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 p -48.72 -57.26 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -52.69 -16.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.916 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.7 t60 -96.48 -35.77 11.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -57.78 -27.97 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.8 ptm180 -59.63 -18.86 45.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 29' ' ' HIS . 7.1 pt -68.17 -33.43 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.513 ' CE1' HD11 ' A' ' 32' ' ' ILE . 32.1 m80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.856 0.273 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.839 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -95.7 101.98 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.587 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -121.71 136.85 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 17' ' ' GLY . 48.8 t -65.71 117.51 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.552 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -71.07 -11.35 60.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.68 -45.39 15.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.57 -37.76 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.68 40.78 2.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 6.5 ttmm -104.31 119.94 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.587 HG22 ' HB ' ' A' ' 12' ' ' VAL . 62.5 p -76.79 158.79 30.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.485 ' CD1' HD13 ' A' ' 26' ' ' LEU . 96.8 m-85 -145.1 136.22 24.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 22' ' ' GLN . 18.5 ptt-85 -73.23 -34.91 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 30.9 mt-30 -100.8 173.72 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 12.4 m -92.63 -41.72 10.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 t -65.33 -33.76 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.6 m -55.68 -66.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' A' ' 11' ' ' LEU . 57.0 tp -45.51 -56.5 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.7 t -52.96 -55.26 24.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -59.22 -11.71 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.922 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -96.39 -37.48 10.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -54.8 -36.15 64.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 13.0 ptp180 -49.34 -22.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.922 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.4 pt -65.79 -34.52 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.469 ' NE2' HD11 ' A' ' 32' ' ' ILE . 83.8 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.856 0.273 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.849 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -97.2 102.06 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.459 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.3 OUTLIER -123.09 145.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.828 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' GLY . 48.3 t -73.81 112.41 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.81 -3.58 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -90.68 -42.81 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.4 p -117.71 -37.63 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.89 41.72 2.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.542 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 37.8 tttt -107.47 118.22 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' HB ' ' A' ' 12' ' ' VAL . 68.0 p -74.06 154.74 39.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 26' ' ' LEU . 96.9 m-85 -138.06 166.54 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 19.6 ttp-105 -91.93 -50.16 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -103.05 165.47 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.588 ' HA ' HD23 ' A' ' 11' ' ' LEU . 57.0 p -69.01 -41.55 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 m -60.31 -51.3 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 m -38.87 -63.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.53 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 37.4 tp -53.85 -64.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLN . 3.1 m -44.31 -66.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 8.7 tppt? -44.67 -21.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -94.73 -32.47 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' SER . 13.4 mt-30 -60.17 -36.35 77.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.4 ptm180 -50.42 -19.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.4 pt -68.16 -33.83 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.547 ' NE2' HD11 ' A' ' 32' ' ' ILE . 78.1 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.835 0.264 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.552 ' HB3' HD22 ' A' ' 26' ' ' LEU . 80.4 mt -98.6 105.24 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.8 OUTLIER -121.31 139.97 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 17' ' ' GLY . 53.2 t -68.86 119.34 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.62 -17.47 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.47 -42.78 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -117.67 -38.0 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.4 42.24 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -109.93 124.23 51.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.557 HG22 ' HB ' ' A' ' 12' ' ' VAL . 67.7 p -76.42 157.68 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CZ ' ' CG ' ' A' ' 29' ' ' HIS . 66.1 m-85 -143.25 171.2 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -75.07 -61.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -135.72 171.83 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' CYS . 33.0 p -49.0 -64.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' SER . 51.4 p -33.56 -36.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -76.65 -64.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.552 HD22 ' HB3' ' A' ' 11' ' ' LEU . 51.7 tp -49.51 -50.41 41.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' GLN . 9.5 t -52.56 -62.58 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -43.51 -26.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.879 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -94.37 -28.67 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.9 mm-40 -65.38 -16.5 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.2 ptm180 -82.43 -8.68 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.879 HG23 ' O ' ' A' ' 29' ' ' HIS . 3.4 pt -73.85 -26.83 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.883 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.844 0.268 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.835 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -94.3 102.02 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.89 144.46 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' HA ' HD11 ' A' ' 26' ' ' LEU . 33.7 t -72.9 113.39 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -68.75 -3.33 11.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -89.21 -43.78 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -115.74 -37.72 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.98 40.91 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -110.24 125.34 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 p -76.84 160.41 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -142.19 167.45 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 12.3 mtp-105 -92.89 -45.59 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -110.11 160.46 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.557 ' HA ' HD23 ' A' ' 11' ' ' LEU . 68.8 p -67.64 -49.15 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 23.3 t -53.49 -38.89 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.4 m -57.16 -60.07 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 13' ' ' CYS . 29.0 tp -56.36 -62.0 2.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.6 p -50.69 -56.52 11.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 27.7 ttmt -54.81 -14.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.935 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -96.55 -36.3 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -55.84 -34.57 65.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -50.1 -22.41 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 29' ' ' HIS . 8.1 pt -66.27 -34.71 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.594 ' CE1' HD11 ' A' ' 32' ' ' ILE . 31.2 m80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.811 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.767 0.236 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.53 ' HB3' HD22 ' A' ' 26' ' ' LEU . 10.8 mt -97.99 111.17 23.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.591 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -125.87 140.82 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' A' ' 17' ' ' GLY . 35.5 t -69.75 117.68 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -71.59 -16.81 62.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.443 ' CD ' ' HB2' ' A' ' 33' ' ' HIS . 3.2 mt-10 -73.18 -44.12 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.3 p -117.14 -37.99 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.87 41.91 2.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -107.99 123.5 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.591 HG22 ' HB ' ' A' ' 12' ' ' VAL . 58.5 p -77.97 153.27 32.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -135.05 169.6 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -34.18 10.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -119.59 155.75 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -62.55 -49.72 74.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 t -59.37 -39.35 83.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.59 -42.98 84.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 11' ' ' LEU . 14.7 tp -74.58 -51.57 14.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -54.72 -57.48 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 7.5 pttp -47.86 -27.52 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.819 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.1 t60 -94.27 -28.26 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.14 -13.98 61.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 11.9 ptp180 -90.0 -9.09 49.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.819 HG23 ' O ' ' A' ' 29' ' ' HIS . 3.1 pt -70.88 -28.57 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.443 ' HB2' ' CD ' ' A' ' 15' ' ' GLU . 88.1 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.826 0.261 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.695 ' HB3' HD22 ' A' ' 26' ' ' LEU . 40.6 mt -94.02 111.85 23.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.786 ' HB ' HG22 ' A' ' 19' ' ' THR . 1.4 p -127.85 135.14 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' GLY . 49.3 t -64.3 119.27 9.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -74.22 -9.58 58.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -82.38 -43.61 17.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.89 -37.98 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.94 41.77 2.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -107.11 119.88 40.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.786 HG22 ' HB ' ' A' ' 12' ' ' VAL . 79.4 p -80.31 152.14 29.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -139.51 156.45 46.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -86.91 -48.32 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -95.36 154.03 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 16.7 m -67.07 -34.76 78.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.3 t -69.02 -31.01 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.3 m -59.01 -50.26 74.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 11' ' ' LEU . 16.1 tp -67.87 -54.81 16.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -54.37 -58.31 7.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -57.34 -11.96 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.902 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.4 t60 -96.65 -36.52 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -56.39 -34.75 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.9 ptp180 -49.37 -22.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.902 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.2 pt -68.27 -34.42 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.874 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -59.65 118.19 5.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -57.39 -46.63 83.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.39 -48.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m 53.61 41.96 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -74.18 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.37 -113.26 0.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 tttm 68.04 42.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.9 138.51 82.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.697 . . . . 0.0 110.906 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 168.94 20.01 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.681 2.254 . . . . 0.0 112.377 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.725 ' HB3' HD22 ' A' ' 26' ' ' LEU . 23.1 mt -106.36 102.68 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.671 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -119.12 146.18 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' GLY . 26.5 t -72.97 111.06 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -67.92 -3.8 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.52 -43.6 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.83 -37.29 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 103.43 41.56 2.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -107.43 119.93 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.671 HG22 ' HB ' ' A' ' 12' ' ' VAL . 76.1 p -80.18 146.36 31.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -130.61 167.87 18.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -95.9 -48.58 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -93.05 164.14 13.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.462 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 75.4 p -79.86 -41.79 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.3 t -64.82 -31.69 73.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 m -60.01 -66.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 11' ' ' LEU . 14.4 tp -47.61 -56.46 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.3 t -53.04 -58.6 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 70.8 mttt -53.61 -15.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.878 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 t60 -95.04 -36.26 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -57.8 -36.86 72.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -49.34 -21.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.878 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.8 pt -66.44 -34.99 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.512 ' NE2' HD11 ' A' ' 32' ' ' ILE . 76.8 m-70 -89.72 -46.48 8.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 t -94.97 119.63 33.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.04 -120.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.08 172.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.9 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -70.17 152.89 95.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 92.99 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 t -73.76 -54.2 8.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.51 -118.93 0.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 2.52 3.45 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 m -77.82 -61.16 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.6 t -79.97 -59.79 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.1 -0.834 . . . . 0.0 112.497 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -96.79 172.33 7.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -138.73 112.46 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.0 141.16 2.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -74.67 139.36 43.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 p -80.63 -56.73 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.58 -140.33 2.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -123.66 175.55 6.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -109.7 148.83 38.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.72 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 167.16 25.23 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.391 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 21.0 mt -105.09 105.22 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.436 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -121.76 146.46 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' GLY . 49.1 t -72.27 118.7 15.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -73.15 -10.52 59.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.515 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 18.6 mm-40 -82.58 -43.65 16.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.37 -37.83 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.6 41.76 2.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 55.4 tttt -107.82 119.72 40.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.436 HG22 ' HB ' ' A' ' 12' ' ' VAL . 75.2 p -71.77 155.93 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CD1' HD13 ' A' ' 26' ' ' LEU . 84.5 m-85 -142.1 160.12 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.11 -45.95 7.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -100.09 151.23 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.446 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 29.1 m -65.1 -57.46 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 23.2 t -51.51 -31.98 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.69 -59.63 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 20' ' ' PHE . 34.0 tp -58.48 -55.44 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -47.13 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 3.1 tmmm? -63.38 -13.95 44.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.93 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -96.42 -36.45 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -56.27 -34.87 66.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 1.9 ptt180 -50.05 -21.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.93 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.8 pt -68.45 -33.74 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.1 m-70 -87.65 -44.94 10.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' HIS . 1.1 t -36.6 -52.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.12 144.76 10.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -141.87 169.96 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -60.53 143.57 89.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' O ' ' HD2' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.78 173.0 11.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -120.31 166.27 13.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.59 168.63 5.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 177.44 5.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.4 m 61.9 41.67 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.3 t -77.87 -58.05 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.491 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 t -90.81 148.06 22.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 m -99.24 173.13 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.9 72.25 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -148.78 123.62 9.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -88.7 -50.43 6.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.57 47.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -127.53 155.37 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -103.44 154.87 37.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 163.84 36.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.756 ' HB3' HD22 ' A' ' 26' ' ' LEU . 56.8 mt -99.0 104.16 16.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.517 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -121.0 144.06 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' GLY . 44.8 t -72.79 118.25 15.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -71.32 -11.34 60.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.68 -46.03 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 p -115.03 -37.95 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.51 41.24 2.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.55 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 36.6 tttm -104.91 117.96 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.517 HG22 ' HB ' ' A' ' 12' ' ' VAL . 82.8 p -73.4 160.76 31.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.55 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 92.0 m-85 -148.76 166.41 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -107.07 -37.9 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -102.55 136.98 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -51.81 -37.63 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -67.33 -43.58 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 m -47.37 -54.14 11.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.756 HD22 ' HB3' ' A' ' 11' ' ' LEU . 16.9 tp -65.63 -59.88 3.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 m -49.27 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 62.2 mmtt -50.37 -16.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.887 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.0 t60 -95.67 -36.08 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.5 -29.76 64.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.1 ptt180 -57.86 -20.52 37.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.887 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.9 pt -67.86 -33.81 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.599 ' NE2' HD11 ' A' ' 32' ' ' ILE . 83.6 m-70 -93.23 -54.13 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.6 t -54.82 116.54 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.45 104.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -81.97 155.08 25.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -114.53 133.24 22.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.54 0.686 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 86.75 0.56 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.27 . . . . 0.0 112.378 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.5 p -124.57 119.57 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.49 -174.76 36.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.75 24.4 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -60.35 133.78 56.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.2 m -149.13 144.39 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.493 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -86.04 -46.99 9.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -142.58 103.88 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.83 -157.24 7.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 t -49.02 -44.65 41.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -122.22 128.23 50.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.04 143.65 12.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -157.49 142.17 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -67.25 139.73 95.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.546 0.689 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.58 21.13 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.312 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.83 ' HB3' HD22 ' A' ' 26' ' ' LEU . 41.2 mt -108.4 104.32 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.559 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.2 OUTLIER -109.89 144.91 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' GLY . 22.3 t -70.53 116.34 10.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.06 -3.28 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.603 ' CD ' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -96.69 -49.76 4.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.4 p -109.8 -31.6 7.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 92.78 44.76 3.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.496 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 35.0 tttp -107.93 118.24 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 12' ' ' VAL . 44.6 p -77.21 135.46 38.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 92.0 m-85 -124.43 149.32 46.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -72.99 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -80.05 169.0 18.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.456 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 3.5 t -85.22 -49.5 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.1 p -55.79 -34.27 65.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.2 m -56.65 -61.7 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 11' ' ' LEU . 12.3 tp -50.74 -58.67 5.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -51.68 -57.85 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 24.0 mmmt -57.09 -13.58 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 t60 -95.13 -37.11 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -57.03 -37.04 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.2 ptt180 -48.52 -23.01 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.0 pt -65.24 -35.56 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' NE2' HD11 ' A' ' 32' ' ' ILE . 78.6 m-70 -87.15 -50.06 6.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 t -57.28 157.78 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.6 -160.13 12.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 pm0 -90.45 148.13 22.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 152.56 92.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 175.42 8.14 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.274 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.1 m -80.97 123.24 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.6 -155.44 12.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 85.56 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -51.13 -49.63 60.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -48.45 -44.6 35.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.136 -0.814 . . . . 0.0 112.517 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -109.79 115.9 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -135.64 157.83 45.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.03 -99.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 p -131.62 131.51 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -56.62 -48.76 76.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.99 65.52 1.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -92.7 -50.99 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.09 139.3 52.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 161.89 44.19 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' HB3' HD23 ' A' ' 26' ' ' LEU . 15.7 mt -98.19 102.17 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.755 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -118.33 145.86 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' GLY . 25.2 t -70.72 110.8 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -69.34 -2.61 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.01 -42.39 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.7 -35.44 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.68 41.94 2.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -106.56 118.98 38.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.755 HG22 ' HB ' ' A' ' 12' ' ' VAL . 68.0 p -82.2 144.07 30.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.469 ' CD1' HD13 ' A' ' 26' ' ' LEU . 53.0 m-85 -128.91 171.12 12.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -90.36 -50.97 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -105.66 169.33 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 49.9 p -75.79 -40.92 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.0 m -59.72 -39.14 83.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.3 m -59.19 -57.82 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' A' ' 11' ' ' LEU . 19.9 tp -58.13 -44.49 87.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 m -59.53 -59.7 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 26.6 mtmm -53.36 -15.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.6 t60 -94.64 -34.84 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' NE2' ' SG ' ' A' ' 13' ' ' CYS . 27.3 mm-40 -59.09 -36.1 74.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 4.1 ptm180 -50.77 -19.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.4 pt -68.01 -32.94 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.529 ' NE2' HD11 ' A' ' 32' ' ' ILE . 74.4 m-70 -92.32 -43.84 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.5 p -138.79 115.85 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.0 44.77 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -106.09 148.92 27.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.95 0.405 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' C ' ' H ' ' A' ' 39' ' ' SER . 6.6 mtpm? -66.27 136.77 95.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.541 0.686 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 39' ' ' SER . 53.3 Cg_endo -69.72 12.53 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 38' ' ' PRO . 6.8 m -33.81 -54.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.87 132.31 5.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -36.25 11.08 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.4 t -87.89 131.78 34.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.5 p -156.83 153.6 28.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.5 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 p -39.97 -58.52 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -99.86 140.89 33.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.12 118.02 9.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -77.66 167.05 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -85.25 110.1 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.79 109.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -80.85 14.16 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -72.74 152.05 91.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.565 0.698 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 168.4 21.67 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 13.3 mt -104.56 102.25 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.759 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -119.18 146.7 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' GLY . 30.4 t -73.85 112.73 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -69.49 -3.05 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -91.15 -44.03 9.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.83 -34.92 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 99.79 41.93 2.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -107.33 119.32 39.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.759 HG22 ' HB ' ' A' ' 12' ' ' VAL . 76.7 p -81.69 147.25 29.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -133.67 165.09 25.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -92.45 -47.7 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -92.83 167.23 11.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.421 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 4.5 t -80.62 -43.46 20.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.5 p -64.15 -32.71 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 m -57.39 -55.62 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 28.7 tp -63.46 -54.55 34.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.5 t -53.7 -59.74 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 31.7 mmtt -53.96 -14.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.886 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.9 t60 -95.73 -36.8 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' A' ' 13' ' ' CYS . 23.3 mm-40 -58.08 -35.12 70.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.6 ptm180 -49.42 -21.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.886 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.0 pt -68.25 -34.47 66.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.505 ' NE2' HD11 ' A' ' 32' ' ' ILE . 79.8 m-70 -89.74 -45.93 8.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.8 p -38.3 -44.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.63 -92.39 0.39 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -60.33 170.83 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -99.53 148.44 34.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 9.91 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.2 p -42.21 -40.42 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.15 124.39 8.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.447 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 86.06 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.29 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 p -114.91 118.8 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.0 t -131.72 143.15 50.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.473 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -94.42 170.83 9.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -62.74 146.18 53.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.13 -46.06 3.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 m -61.79 146.63 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.825 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -141.45 139.55 33.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.98 79.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -85.84 -53.78 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -85.56 154.41 59.13 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 165.48 30.84 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.713 2.275 . . . . 0.0 112.367 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.732 ' HB3' HD22 ' A' ' 26' ' ' LEU . 54.7 mt -104.92 102.91 12.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.474 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.2 OUTLIER -116.24 143.41 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.532 ' O ' ' N ' ' A' ' 17' ' ' GLY . 14.2 t -70.38 111.06 5.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -64.05 -10.64 23.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.598 ' CD ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -84.73 -52.7 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -108.04 -37.95 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.98 42.1 2.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -105.16 118.91 37.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.474 HG22 ' HB ' ' A' ' 12' ' ' VAL . 55.5 p -75.49 148.27 39.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -134.33 169.17 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -91.02 -62.02 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -95.97 174.92 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -76.59 -52.93 8.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 t -49.24 -35.43 17.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.9 m -60.81 -64.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 11' ' ' LEU . 7.6 tp -53.56 -53.91 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.7 t -54.6 -57.05 12.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -54.8 -14.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.883 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.5 t60 -95.11 -36.27 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -57.55 -36.6 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.2 ptm180 -49.62 -20.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.6 pt -67.22 -34.35 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -88.03 -43.35 11.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -65.1 175.92 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.74 85.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -86.81 160.3 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 125.62 88.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.717 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 94.05 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -59.03 -53.34 59.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.24 153.93 20.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.9 Cg_endo -69.75 2.89 3.12 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.693 2.262 . . . . 0.0 112.373 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 41' ' ' PRO . 6.2 m -34.43 -61.78 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.4 m -91.92 -60.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 p -117.6 16.91 14.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -92.71 -59.33 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.58 -79.3 0.15 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 p -110.15 -36.54 5.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.92 0.39 . . . . 0.0 110.843 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -63.83 102.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.31 124.73 0.92 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt 42.32 31.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 13.9 ttmt -68.35 143.42 95.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.537 0.685 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 54.0 Cg_endo -69.69 174.0 10.09 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.666 2.244 . . . . 0.0 112.383 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' A' ' 23' ' ' SER . 22.8 mt -107.6 103.09 12.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.561 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.4 OUTLIER -120.87 145.87 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.085 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 17' ' ' GLY . 38.2 t -74.61 114.03 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.16 -3.15 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 7.7 mm-40 -90.6 -42.87 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.4 p -117.37 -36.2 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 100.11 42.51 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -110.42 120.59 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.561 HG22 ' HB ' ' A' ' 12' ' ' VAL . 71.8 p -76.91 150.69 35.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -133.02 175.75 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -89.02 -59.37 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -105.22 175.65 5.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.664 ' HA ' HD13 ' A' ' 11' ' ' LEU . 15.6 m -73.98 -63.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.1 t -38.73 -39.08 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -60.69 -61.28 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' A' ' 11' ' ' LEU . 20.4 tp -57.15 -53.82 53.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.9 p -55.56 -55.97 25.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 6.9 ttpt -54.71 -14.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.917 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.2 t60 -95.76 -37.25 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -56.99 -34.59 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 4.2 ptt180 -49.79 -22.52 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.917 HG23 ' O ' ' A' ' 29' ' ' HIS . 7.4 pt -66.72 -34.64 71.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 81.7 m-70 -87.48 -55.6 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t 55.5 40.33 31.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.71 -166.72 34.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -106.08 163.6 12.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -71.35 157.24 90.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.6 t 56.13 41.1 29.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.73 -125.55 2.51 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 2.58 3.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m 55.5 41.32 30.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 t -150.81 150.3 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.066 -0.852 . . . . 0.0 112.516 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -147.54 152.68 38.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -88.19 17.99 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.32 47.92 61.05 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -112.11 174.89 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -110.28 115.95 30.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.31 136.87 30.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.537 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -55.24 -49.02 73.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -91.94 138.49 24.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 165.65 30.18 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.64 ' HB3' HD22 ' A' ' 26' ' ' LEU . 14.7 mt -101.39 102.69 13.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.741 ' HB ' HG22 ' A' ' 19' ' ' THR . 1.1 p -118.51 133.07 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -57.96 114.81 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -72.86 2.44 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -96.62 -46.12 6.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.61 -37.95 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.88 41.21 2.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -111.3 126.62 55.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.741 HG22 ' HB ' ' A' ' 12' ' ' VAL . 71.1 p -84.18 147.94 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -129.15 160.54 32.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -85.55 -52.81 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -93.94 170.23 9.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 4.9 t -80.07 -45.0 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 p -62.39 -35.19 78.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.06 -55.41 31.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 11' ' ' LEU . 18.5 tp -60.0 -56.45 21.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.4 p -51.7 -60.02 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 24.3 mmtt -53.56 -14.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.899 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 t60 -95.37 -37.65 10.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.62 -27.93 65.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -59.69 -19.11 47.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.899 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.4 pt -68.42 -33.56 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -87.02 -42.94 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -39.34 -60.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.63 102.84 0.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -84.76 162.99 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.46 135.47 65.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -173.52 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 p -68.25 174.41 3.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.93 -154.39 6.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 5.47 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.378 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 t -52.03 119.45 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.0 p -94.61 162.22 13.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.471 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -116.01 114.82 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -139.16 119.91 14.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.18 146.74 33.72 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -98.89 147.2 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.821 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.8 p -101.41 -37.73 8.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.43 49.85 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -67.34 -45.6 75.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.858 0.361 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -63.78 139.68 97.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.708 . . . . 0.0 110.868 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 161.53 45.56 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 22.3 mt -95.78 102.8 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.732 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -118.36 147.61 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.8 t -70.89 108.94 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.59 -2.11 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.45 -41.5 9.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.1 p -117.96 -37.3 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 104.67 40.6 2.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -105.69 119.88 40.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.732 HG22 ' HB ' ' A' ' 12' ' ' VAL . 76.9 p -82.6 146.45 29.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.8 169.45 16.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -93.4 -49.02 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -100.08 165.54 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 46.8 t -74.03 -52.21 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -53.4 -34.13 56.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.9 m -58.98 -62.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD22 ' C ' ' A' ' 11' ' ' LEU . 22.0 tp -53.18 -52.46 58.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.6 m -55.15 -59.45 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 14.9 mtpp -53.59 -15.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.896 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.0 t60 -95.58 -36.06 11.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -58.28 -35.05 71.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 5.6 ptm180 -50.64 -20.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.896 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.4 pt -67.49 -32.75 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' NE2' HD11 ' A' ' 32' ' ' ILE . 72.3 m-70 -92.98 -50.97 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.796 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 t 52.17 43.88 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.99 -57.9 3.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -135.03 142.39 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -74.66 133.49 76.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.561 0.696 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 10.09 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.1 p -80.61 137.57 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.86 -156.67 17.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 106.65 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 p -161.03 160.32 30.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.3 m -124.73 119.62 29.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.529 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -156.12 150.61 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -48.43 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.76 -105.24 2.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -142.27 142.51 32.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -78.77 159.44 27.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.98 58.73 0.59 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -70.77 -46.41 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -65.62 142.47 98.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 169.48 18.81 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.707 HD13 ' HA ' ' A' ' 23' ' ' SER . 18.9 mt -108.32 102.39 11.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -118.79 141.7 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' GLY . 31.4 t -71.19 112.42 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.32 -3.36 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -90.95 -43.66 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.8 p -117.48 -36.59 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.55 42.28 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -107.08 117.9 35.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.601 HG22 ' HB ' ' A' ' 12' ' ' VAL . 69.1 p -77.63 148.35 35.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -133.15 169.97 16.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -88.9 -46.87 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -111.81 170.53 8.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.707 ' HA ' HD13 ' A' ' 11' ' ' LEU . 69.7 m -78.52 -47.29 17.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.9 m -50.9 -40.6 57.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.0 -62.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 11' ' ' LEU . 19.9 tp -51.17 -52.64 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -56.04 -54.99 38.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 42.3 mtmt -55.88 -12.98 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.918 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -96.49 -38.05 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -54.0 -34.75 60.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.3 ptp180 -48.81 -25.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.918 HG23 ' O ' ' A' ' 29' ' ' HIS . 8.7 pt -63.21 -35.29 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.428 ' NE2' HD11 ' A' ' 32' ' ' ILE . 82.1 m-70 -87.38 -29.15 21.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' HIS . 24.0 p -37.59 -41.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.31 41.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -83.44 18.0 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 137.7 22.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.577 0.703 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.03 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.344 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.5 t -58.05 -50.01 74.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.06 153.36 5.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 155.76 65.11 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.622 2.215 . . . . 0.0 112.367 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.5 m -136.54 121.61 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -58.82 -52.82 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.091 -0.839 . . . . 0.0 112.476 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -88.24 175.26 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -135.61 131.46 35.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.32 -74.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -107.38 147.72 29.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -75.01 -47.11 30.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.9 -148.19 4.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -147.95 134.14 19.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.353 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -66.51 144.12 98.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.504 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.7 Cg_endo -69.71 164.09 35.8 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.86 ' HB3' HD22 ' A' ' 26' ' ' LEU . 58.4 mt -98.61 104.74 16.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.764 ' HB ' HG22 ' A' ' 19' ' ' THR . 1.5 p -123.77 127.91 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.9 t -56.74 114.29 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.24 0.67 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -94.13 -44.63 7.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.16 -37.92 4.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.39 41.87 2.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.534 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 49.7 tttt -110.07 119.59 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.764 HG22 ' HB ' ' A' ' 12' ' ' VAL . 71.1 p -79.4 155.69 28.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.534 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 73.5 m-85 -147.36 148.17 31.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.442 ' HG3' ' CD ' ' A' ' 22' ' ' GLN . 2.2 ptp180 -99.61 9.37 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.442 ' CD ' ' HG3' ' A' ' 21' ' ' ARG . 11.4 mp0 -137.49 117.51 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 23.2 t -50.66 -29.99 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.9 p -71.57 -41.93 68.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -55.8 -66.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.86 HD22 ' HB3' ' A' ' 11' ' ' LEU . 19.4 tp -45.91 -62.84 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 t -50.26 -59.07 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 31.7 mttp -58.58 -11.3 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.923 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.5 t60 -96.58 -38.14 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -54.37 -34.74 61.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.6 ptt180 -49.4 -23.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.923 HG23 ' O ' ' A' ' 29' ' ' HIS . 7.3 pt -67.01 -34.87 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' NE2' HD11 ' A' ' 32' ' ' ILE . 86.0 m-70 -89.34 -45.34 9.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 m -157.77 103.23 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.53 -142.54 0.15 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -81.11 145.54 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -110.82 132.34 21.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 92.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.1 m -83.1 161.9 21.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.23 156.08 8.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 123.2 9.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -91.7 -48.41 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t -154.65 163.25 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.453 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -73.16 153.39 40.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.819 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -67.96 152.09 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.89 -48.67 0.94 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -108.04 137.32 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -78.66 -55.22 5.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.18 -51.76 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -66.88 -51.9 49.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -76.92 158.01 80.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.871 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 162.17 43.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.512 ' HB3' HD22 ' A' ' 26' ' ' LEU . 81.7 mt -96.54 102.03 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -118.52 148.77 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' GLY . 44.7 t -77.11 118.91 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -71.92 -13.16 61.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.21 -45.94 30.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.96 -37.95 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 106.63 35.91 2.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 7.8 ttmm -96.85 120.31 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.601 HG22 ' HB ' ' A' ' 12' ' ' VAL . 57.6 p -79.15 159.15 27.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 89.0 m-85 -152.45 156.1 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -90.57 -50.43 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -86.47 151.02 23.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.439 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 2.5 t -65.9 -35.45 80.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 73.5 m -70.43 -27.35 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 20' ' ' PHE . 4.7 m -60.52 -50.92 71.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 11' ' ' LEU . 18.5 tp -67.27 -59.27 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 p -53.26 -56.8 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' SER . 20.4 ttpt -58.02 -11.65 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.922 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.5 t60 -96.71 -37.35 10.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.475 HE21 HD11 ' A' ' 26' ' ' LEU . 32.2 mm-40 -54.02 -35.04 61.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 5.6 ptm180 -50.36 -22.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.922 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.9 pt -66.77 -33.7 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.423 ' NE2' HD11 ' A' ' 32' ' ' ILE . 85.0 m-70 -91.17 -44.2 9.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' GLY . 13.6 t -63.78 167.35 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -37.27 154.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.03 17.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 2.2 ttmp? -61.35 139.52 94.74 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 54.2 Cg_endo -69.72 175.09 8.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 m -149.44 164.03 36.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.59 -148.02 0.13 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' SER . 54.1 Cg_endo -69.76 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.64 2.227 . . . . 0.0 112.389 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PRO . 32.6 t -34.49 -43.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.1 t -82.35 -55.26 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.456 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.7 m -109.95 162.6 14.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.845 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -129.96 124.82 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.47 46.95 36.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -76.85 -46.77 23.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -49.53 -49.5 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.97 73.57 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -69.23 -58.12 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -118.83 139.41 27.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 168.57 21.11 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.662 2.241 . . . . 0.0 112.395 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.864 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -97.71 102.02 13.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.475 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.4 OUTLIER -120.96 141.37 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 17' ' ' GLY . 41.9 t -69.52 118.88 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.46 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -71.39 -10.07 59.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 6.5 mm-40 -83.4 -45.33 13.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -115.13 -37.9 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.38 41.64 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -106.62 120.11 41.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.475 HG22 ' HB ' ' A' ' 12' ' ' VAL . 52.0 p -73.76 155.4 38.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.91 168.89 18.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -90.6 -48.23 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -110.82 170.92 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.489 ' HA ' HD23 ' A' ' 11' ' ' LEU . 29.2 t -75.71 -44.41 42.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -54.83 -43.58 73.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.53 -63.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 11' ' ' LEU . 15.6 tp -50.89 -63.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 p -48.72 -57.26 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -52.69 -16.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.916 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.7 t60 -96.48 -35.77 11.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -57.78 -27.97 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.8 ptm180 -59.63 -18.86 45.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 29' ' ' HIS . 7.1 pt -68.17 -33.43 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.0 m-70 -87.63 -53.47 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -62.54 146.72 51.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.59 73.92 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -108.77 175.76 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -72.63 141.76 82.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.715 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 103.43 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 t -152.05 121.73 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.806 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.23 160.85 8.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 5.29 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -78.2 9.27 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -66.45 122.84 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.473 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m -112.67 144.41 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -87.33 128.51 35.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.28 -73.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 p -65.02 -46.4 81.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 110.821 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 m -58.43 -46.21 86.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.94 -158.91 27.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' C ' ' HD2' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -147.11 141.07 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.876 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -74.83 150.37 86.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.512 0.673 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 167.86 23.27 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.839 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -95.7 101.98 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.587 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -121.71 136.85 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 17' ' ' GLY . 48.8 t -65.71 117.51 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.552 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -71.07 -11.35 60.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.68 -45.39 15.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.57 -37.76 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.68 40.78 2.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 6.5 ttmm -104.31 119.94 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.587 HG22 ' HB ' ' A' ' 12' ' ' VAL . 62.5 p -76.79 158.79 30.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.485 ' CD1' HD13 ' A' ' 26' ' ' LEU . 96.8 m-85 -145.1 136.22 24.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 22' ' ' GLN . 18.5 ptt-85 -73.23 -34.91 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 30.9 mt-30 -100.8 173.72 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 12.4 m -92.63 -41.72 10.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 t -65.33 -33.76 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.6 m -55.68 -66.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' A' ' 11' ' ' LEU . 57.0 tp -45.51 -56.5 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.7 t -52.96 -55.26 24.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -59.22 -11.71 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.922 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.4 t60 -96.39 -37.48 10.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -54.8 -36.15 64.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 13.0 ptp180 -49.34 -22.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.922 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.4 pt -65.79 -34.52 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.469 ' NE2' HD11 ' A' ' 32' ' ' ILE . 83.8 m-70 -90.5 -42.52 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 t -43.81 -44.65 6.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.31 78.09 0.99 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -108.99 176.41 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.943 0.401 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -78.6 152.34 77.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.63 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t 58.13 41.99 22.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.62 -159.5 30.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 142.76 49.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.274 . . . . 0.0 112.37 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -123.0 156.69 34.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.9 m -83.3 166.42 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.456 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.9 p -96.9 130.18 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -124.77 156.07 38.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.24 62.0 0.39 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -98.0 105.6 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -134.63 123.36 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.62 -74.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -41.37 -39.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -64.74 149.59 95.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.63 16.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.617 2.211 . . . . 0.0 112.321 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.849 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -97.2 102.06 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.459 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.3 OUTLIER -123.09 145.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.828 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' GLY . 48.3 t -73.81 112.41 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.81 -3.58 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -90.68 -42.81 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.4 p -117.71 -37.63 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.89 41.72 2.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.542 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 37.8 tttt -107.47 118.22 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' HB ' ' A' ' 12' ' ' VAL . 68.0 p -74.06 154.74 39.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 26' ' ' LEU . 96.9 m-85 -138.06 166.54 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 19.6 ttp-105 -91.93 -50.16 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -103.05 165.47 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.588 ' HA ' HD23 ' A' ' 11' ' ' LEU . 57.0 p -69.01 -41.55 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 m -60.31 -51.3 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 m -38.87 -63.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 37.4 tp -53.85 -64.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLN . 3.1 m -44.31 -66.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 8.7 tppt? -44.67 -21.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -94.73 -32.47 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' SER . 26.7 mt-30 -60.17 -36.35 77.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.4 ptm180 -50.42 -19.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.4 pt -68.16 -33.83 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.547 ' NE2' HD11 ' A' ' 32' ' ' ILE . 78.1 m-70 -91.83 -52.57 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 t 55.3 41.95 30.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.81 64.33 4.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -83.6 160.67 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.943 0.401 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.72 115.65 22.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.53 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.607 2.205 . . . . 0.0 112.363 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.1 t -156.31 110.56 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.51 -162.99 15.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.79 63.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -54.27 172.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.8 p -59.17 -45.65 90.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.429 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' GLY . 6.5 t -37.96 -54.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 t -86.88 142.26 28.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.66 -116.96 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 t -130.48 151.7 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -89.56 -47.14 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.44 94.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 39.4 pttt -46.08 -33.33 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 36.8 mtmm -83.01 153.95 67.08 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.859 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.85 48.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.552 ' HB3' HD22 ' A' ' 26' ' ' LEU . 80.4 mt -98.6 105.24 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.8 OUTLIER -121.31 139.97 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 17' ' ' GLY . 53.2 t -68.86 119.34 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.62 -17.47 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.47 -42.78 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -117.67 -38.0 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.4 42.24 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -109.93 124.23 51.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.557 HG22 ' HB ' ' A' ' 12' ' ' VAL . 67.7 p -76.42 157.68 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CZ ' ' CG ' ' A' ' 29' ' ' HIS . 66.1 m-85 -143.25 171.2 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -75.07 -61.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -135.72 171.83 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' CYS . 33.0 p -49.0 -64.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' SER . 51.4 p -33.56 -36.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -76.65 -64.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.552 HD22 ' HB3' ' A' ' 11' ' ' LEU . 51.7 tp -49.51 -50.41 41.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' GLN . 9.5 t -52.56 -62.58 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -43.51 -26.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.879 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -94.37 -28.67 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.9 mm-40 -65.38 -16.5 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.2 ptm180 -82.43 -8.68 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.879 HG23 ' O ' ' A' ' 29' ' ' HIS . 3.4 pt -73.85 -26.83 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -91.96 -39.22 11.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.4 p -85.9 12.05 10.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.37 -124.91 5.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 mp0 -88.81 169.36 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -93.83 141.67 24.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 110.02 2.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.6 t -88.47 145.44 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.3 178.76 43.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.541 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.33 19.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.0 p -51.38 -52.37 46.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.2 p -152.3 169.75 21.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.485 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -145.23 131.13 19.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -121.42 171.77 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.94 -55.53 0.51 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -61.54 156.45 19.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -49.76 -43.7 48.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.33 -74.13 1.73 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -43.31 -58.03 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.92 137.25 94.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.536 0.684 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.95 11.68 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.754 2.303 . . . . 0.0 112.332 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.835 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -94.3 102.02 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.89 144.46 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' HA ' HD11 ' A' ' 26' ' ' LEU . 33.7 t -72.9 113.39 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -68.75 -3.33 11.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 8.2 mm-40 -89.21 -43.78 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -115.74 -37.72 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.98 40.91 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -110.24 125.34 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 p -76.84 160.41 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -142.19 167.45 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 12.3 mtp-105 -92.89 -45.59 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -110.11 160.46 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.557 ' HA ' HD23 ' A' ' 11' ' ' LEU . 68.8 p -67.64 -49.15 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 23.3 t -53.49 -38.89 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.4 m -57.16 -60.07 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 13' ' ' CYS . 29.0 tp -56.36 -62.0 2.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.6 p -50.69 -56.52 11.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 27.7 ttmt -54.81 -14.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.935 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -96.55 -36.3 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -55.84 -34.57 65.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -50.1 -22.41 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 29' ' ' HIS . 8.1 pt -66.27 -34.71 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.2 m-70 -87.85 -45.58 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.811 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.0 m -43.07 -49.16 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.06 150.37 37.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -127.47 145.96 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -88.24 155.86 51.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.573 0.701 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 84.34 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.382 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.9 p -116.68 -34.82 4.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.12 -114.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.44 2.78 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -124.48 153.42 42.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.4 m -107.88 164.29 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.471 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -143.28 164.79 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -137.25 122.96 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.47 148.25 40.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.453 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -58.77 -46.22 88.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -128.1 177.36 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.74 -64.56 3.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -129.26 155.87 44.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -112.04 143.1 28.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 159.18 54.38 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.725 2.284 . . . . 0.0 112.363 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.53 ' HB3' HD22 ' A' ' 26' ' ' LEU . 10.8 mt -97.99 111.17 23.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.591 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -125.87 140.82 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' A' ' 17' ' ' GLY . 35.5 t -69.75 117.68 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -71.59 -16.81 62.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' CD ' ' HB2' ' A' ' 33' ' ' HIS . 3.2 mt-10 -73.18 -44.12 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.3 p -117.14 -37.99 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.87 41.91 2.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -107.99 123.5 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.591 HG22 ' HB ' ' A' ' 12' ' ' VAL . 58.5 p -77.97 153.27 32.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -135.05 169.6 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -34.18 10.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -119.59 155.75 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -62.55 -49.72 74.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 t -59.37 -39.35 83.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.59 -42.98 84.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 11' ' ' LEU . 14.7 tp -74.58 -51.57 14.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -54.72 -57.48 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 7.5 pttp -47.86 -27.52 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.819 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.1 t60 -94.27 -28.26 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.14 -13.98 61.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 11.9 ptp180 -90.0 -9.09 49.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.819 HG23 ' O ' ' A' ' 29' ' ' HIS . 3.1 pt -70.88 -28.57 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.443 ' HB2' ' CD ' ' A' ' 15' ' ' GLU . 88.1 m-70 -86.1 -43.41 13.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 m -47.17 -37.7 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -38.94 155.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -82.07 18.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -80.53 121.71 81.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 97.92 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.367 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -65.93 -42.73 89.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -154.95 133.99 4.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 m -54.66 -65.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.2 p -64.44 -39.46 93.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.503 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -117.84 121.29 40.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -70.25 -45.4 66.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.17 -123.08 5.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -86.58 131.62 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -86.56 -51.69 6.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.65 -124.61 1.06 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -116.45 155.49 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 154.69 38.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 110.927 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 157.82 58.97 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.695 ' HB3' HD22 ' A' ' 26' ' ' LEU . 40.6 mt -94.02 111.85 23.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.786 ' HB ' HG22 ' A' ' 19' ' ' THR . 1.4 p -127.85 135.14 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' GLY . 49.3 t -64.3 119.27 9.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -74.22 -9.58 58.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -82.38 -43.61 17.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.89 -37.98 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.94 41.77 2.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -107.11 119.88 40.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.786 HG22 ' HB ' ' A' ' 12' ' ' VAL . 79.4 p -80.31 152.14 29.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -139.51 156.45 46.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -86.91 -48.32 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -95.36 154.03 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 16.7 m -67.07 -34.76 78.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.3 t -69.02 -31.01 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.3 m -59.01 -50.26 74.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 11' ' ' LEU . 16.1 tp -67.87 -54.81 16.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -54.37 -58.31 7.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -57.34 -11.96 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.902 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.4 t60 -96.65 -36.52 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -56.39 -34.75 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.9 ptp180 -49.37 -22.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.902 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.2 pt -68.27 -34.42 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -88.55 -52.54 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -55.61 -46.33 77.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.03 114.55 0.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.606 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 6.0 tt0 -98.59 12.32 35.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.394 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -74.47 136.12 75.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.54 0.686 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 173.92 10.32 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 p -123.82 153.26 41.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.02 -119.86 2.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 0.78 5.18 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -74.91 113.68 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.1 p -161.02 158.95 28.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.803 0.251 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.725 ' HB3' HD22 ' A' ' 26' ' ' LEU . 23.1 mt -106.36 102.68 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.671 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -119.12 146.18 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' GLY . 26.5 t -72.97 111.06 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -67.92 -3.8 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.52 -43.6 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.83 -37.29 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 103.43 41.56 2.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -107.43 119.93 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.671 HG22 ' HB ' ' A' ' 12' ' ' VAL . 76.1 p -80.18 146.36 31.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -130.61 167.87 18.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -95.9 -48.58 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -93.05 164.14 13.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.462 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 75.4 p -79.86 -41.79 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.3 t -64.82 -31.69 73.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 m -60.01 -66.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 11' ' ' LEU . 14.4 tp -47.61 -56.46 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.3 t -53.04 -58.6 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 70.8 mttt -53.61 -15.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.878 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 t60 -95.04 -36.26 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -57.8 -36.86 72.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -49.34 -21.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.878 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.8 pt -66.44 -34.99 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.512 ' NE2' HD11 ' A' ' 32' ' ' ILE . 76.8 m-70 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.802 0.251 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 21.0 mt -105.09 105.22 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.436 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -121.76 146.46 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' GLY . 49.1 t -72.27 118.7 15.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -73.15 -10.52 59.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.515 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 18.6 mm-40 -82.58 -43.65 16.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.37 -37.83 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.6 41.76 2.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 55.4 tttt -107.82 119.72 40.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.436 HG22 ' HB ' ' A' ' 12' ' ' VAL . 75.2 p -71.77 155.93 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CD1' HD13 ' A' ' 26' ' ' LEU . 84.5 m-85 -142.1 160.12 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.11 -45.95 7.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -100.09 151.23 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.446 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 29.1 m -65.1 -57.46 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 23.2 t -51.51 -31.98 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.69 -59.63 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 20' ' ' PHE . 34.0 tp -58.48 -55.44 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -47.13 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 3.1 tmmm? -63.38 -13.95 44.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.93 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -96.42 -36.45 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -56.27 -34.87 66.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 1.9 ptt180 -50.05 -21.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.93 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.8 pt -68.45 -33.74 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.173 0 CA-C-O 120.801 0.25 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.756 ' HB3' HD22 ' A' ' 26' ' ' LEU . 56.8 mt -99.0 104.16 16.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.517 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -121.0 144.06 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' GLY . 44.8 t -72.79 118.25 15.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -71.32 -11.34 60.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.68 -46.03 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 p -115.03 -37.95 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.51 41.24 2.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.55 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 36.6 tttm -104.91 117.96 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.517 HG22 ' HB ' ' A' ' 12' ' ' VAL . 82.8 p -73.4 160.76 31.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.55 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 92.0 m-85 -148.76 166.41 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -107.07 -37.9 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -102.55 136.98 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -51.81 -37.63 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -67.33 -43.58 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 m -47.37 -54.14 11.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.756 HD22 ' HB3' ' A' ' 11' ' ' LEU . 16.9 tp -65.63 -59.88 3.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 m -49.27 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 62.2 mmtt -50.37 -16.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.887 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.0 t60 -95.67 -36.08 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.5 -29.76 64.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.1 ptt180 -57.86 -20.52 37.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.887 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.9 pt -67.86 -33.81 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.599 ' NE2' HD11 ' A' ' 32' ' ' ILE . 83.6 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.823 0.26 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.83 ' HB3' HD22 ' A' ' 26' ' ' LEU . 41.2 mt -108.4 104.32 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.559 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.2 OUTLIER -109.89 144.91 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' GLY . 22.3 t -70.53 116.34 10.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.06 -3.28 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.603 ' CD ' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -96.69 -49.76 4.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.4 p -109.8 -31.6 7.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 92.78 44.76 3.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.496 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 35.0 tttp -107.93 118.24 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 12' ' ' VAL . 44.6 p -77.21 135.46 38.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 92.0 m-85 -124.43 149.32 46.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -72.99 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -80.05 169.0 18.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.456 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 3.5 t -85.22 -49.5 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.1 p -55.79 -34.27 65.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.2 m -56.65 -61.7 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 11' ' ' LEU . 12.3 tp -50.74 -58.67 5.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -51.68 -57.85 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 24.0 mmmt -57.09 -13.58 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 t60 -95.13 -37.11 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -57.03 -37.04 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.2 ptt180 -48.52 -23.01 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.0 pt -65.24 -35.56 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.409 ' NE2' HD11 ' A' ' 32' ' ' ILE . 78.6 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.837 0.266 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' HB3' HD23 ' A' ' 26' ' ' LEU . 15.7 mt -98.19 102.17 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.755 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -118.33 145.86 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' GLY . 25.2 t -70.72 110.8 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -69.34 -2.61 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.01 -42.39 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.7 -35.44 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.68 41.94 2.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -106.56 118.98 38.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.755 HG22 ' HB ' ' A' ' 12' ' ' VAL . 68.0 p -82.2 144.07 30.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.469 ' CD1' HD13 ' A' ' 26' ' ' LEU . 53.0 m-85 -128.91 171.12 12.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -90.36 -50.97 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -105.66 169.33 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 49.9 p -75.79 -40.92 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.0 m -59.72 -39.14 83.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.3 m -59.19 -57.82 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' A' ' 11' ' ' LEU . 19.9 tp -58.13 -44.49 87.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 m -59.53 -59.7 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 26.6 mtmm -53.36 -15.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.6 t60 -94.64 -34.84 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.453 ' NE2' ' SG ' ' A' ' 13' ' ' CYS . 27.3 mm-40 -59.09 -36.1 74.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 4.1 ptm180 -50.77 -19.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.4 pt -68.01 -32.94 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.529 ' NE2' HD11 ' A' ' 32' ' ' ILE . 74.4 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.865 0.277 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 13.3 mt -104.56 102.25 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.759 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -119.18 146.7 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' GLY . 30.4 t -73.85 112.73 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -69.49 -3.05 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -91.15 -44.03 9.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.83 -34.92 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 99.79 41.93 2.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -107.33 119.32 39.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.759 HG22 ' HB ' ' A' ' 12' ' ' VAL . 76.7 p -81.69 147.25 29.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -133.67 165.09 25.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -92.45 -47.7 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -92.83 167.23 11.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.421 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 4.5 t -80.62 -43.46 20.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.5 p -64.15 -32.71 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 m -57.39 -55.62 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 28.7 tp -63.46 -54.55 34.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.5 t -53.7 -59.74 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 31.7 mmtt -53.96 -14.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.886 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.9 t60 -95.73 -36.8 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' A' ' 13' ' ' CYS . 23.3 mm-40 -58.08 -35.12 70.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.6 ptm180 -49.42 -21.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.886 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.0 pt -68.25 -34.47 66.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.505 ' NE2' HD11 ' A' ' 32' ' ' ILE . 79.8 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.822 0.259 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.732 ' HB3' HD22 ' A' ' 26' ' ' LEU . 54.7 mt -104.92 102.91 12.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.474 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.2 OUTLIER -116.24 143.41 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.532 ' O ' ' N ' ' A' ' 17' ' ' GLY . 14.2 t -70.38 111.06 5.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -64.05 -10.64 23.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.598 ' CD ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -84.73 -52.7 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -108.04 -37.95 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.98 42.1 2.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -105.16 118.91 37.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.474 HG22 ' HB ' ' A' ' 12' ' ' VAL . 55.5 p -75.49 148.27 39.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -134.33 169.17 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -91.02 -62.02 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -95.97 174.92 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -76.59 -52.93 8.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 t -49.24 -35.43 17.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.9 m -60.81 -64.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 11' ' ' LEU . 7.6 tp -53.56 -53.91 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.7 t -54.6 -57.05 12.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -54.8 -14.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.883 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.5 t60 -95.11 -36.27 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -57.55 -36.6 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.2 ptm180 -49.62 -20.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.6 pt -67.22 -34.35 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 179.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.212 0 CA-C-O 120.829 0.262 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' A' ' 23' ' ' SER . 22.8 mt -107.6 103.09 12.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.561 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.4 OUTLIER -120.87 145.87 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.085 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 17' ' ' GLY . 38.2 t -74.61 114.03 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.16 -3.15 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 7.7 mm-40 -90.6 -42.87 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.4 p -117.37 -36.2 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 100.11 42.51 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -110.42 120.59 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.561 HG22 ' HB ' ' A' ' 12' ' ' VAL . 71.8 p -76.91 150.69 35.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -133.02 175.75 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -89.02 -59.37 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -105.22 175.65 5.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.664 ' HA ' HD13 ' A' ' 11' ' ' LEU . 15.6 m -73.98 -63.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.1 t -38.73 -39.08 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -60.69 -61.28 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' A' ' 11' ' ' LEU . 20.4 tp -57.15 -53.82 53.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.9 p -55.56 -55.97 25.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 6.9 ttpt -54.71 -14.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.917 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.2 t60 -95.76 -37.25 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -56.99 -34.59 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 4.2 ptt180 -49.79 -22.52 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.917 HG23 ' O ' ' A' ' 29' ' ' HIS . 7.4 pt -66.72 -34.64 71.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 81.7 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.209 0 CA-C-O 120.819 0.258 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.64 ' HB3' HD22 ' A' ' 26' ' ' LEU . 14.7 mt -101.39 102.69 13.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.741 ' HB ' HG22 ' A' ' 19' ' ' THR . 1.1 p -118.51 133.07 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -57.96 114.81 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -72.86 2.44 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -96.62 -46.12 6.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.61 -37.95 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.88 41.21 2.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -111.3 126.62 55.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.741 HG22 ' HB ' ' A' ' 12' ' ' VAL . 71.1 p -84.18 147.94 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -129.15 160.54 32.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -85.55 -52.81 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -93.94 170.23 9.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 4.9 t -80.07 -45.0 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 p -62.39 -35.19 78.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.06 -55.41 31.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 11' ' ' LEU . 18.5 tp -60.0 -56.45 21.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.4 p -51.7 -60.02 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 24.3 mmtt -53.56 -14.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.899 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 t60 -95.37 -37.65 10.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.62 -27.93 65.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -59.69 -19.11 47.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.899 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.4 pt -68.42 -33.56 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.832 0.263 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 22.3 mt -95.78 102.8 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.732 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -118.36 147.61 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.8 t -70.89 108.94 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.59 -2.11 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.45 -41.5 9.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.1 p -117.96 -37.3 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 104.67 40.6 2.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -105.69 119.88 40.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.732 HG22 ' HB ' ' A' ' 12' ' ' VAL . 76.9 p -82.6 146.45 29.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.8 169.45 16.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -93.4 -49.02 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -100.08 165.54 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 46.8 t -74.03 -52.21 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -53.4 -34.13 56.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.9 m -58.98 -62.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD22 ' C ' ' A' ' 11' ' ' LEU . 22.0 tp -53.18 -52.46 58.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.6 m -55.15 -59.45 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 14.9 mtpp -53.59 -15.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.896 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.0 t60 -95.58 -36.06 11.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -58.28 -35.05 71.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 5.6 ptm180 -50.64 -20.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.896 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.4 pt -67.49 -32.75 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.571 ' NE2' HD11 ' A' ' 32' ' ' ILE . 72.3 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.796 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.774 0.239 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.707 HD13 ' HA ' ' A' ' 23' ' ' SER . 18.9 mt -108.32 102.39 11.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -118.79 141.7 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' GLY . 31.4 t -71.19 112.42 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.32 -3.36 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -90.95 -43.66 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.8 p -117.48 -36.59 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.55 42.28 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -107.08 117.9 35.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.601 HG22 ' HB ' ' A' ' 12' ' ' VAL . 69.1 p -77.63 148.35 35.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -133.15 169.97 16.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -88.9 -46.87 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -111.81 170.53 8.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.707 ' HA ' HD13 ' A' ' 11' ' ' LEU . 69.7 m -78.52 -47.29 17.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.9 m -50.9 -40.6 57.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.0 -62.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 11' ' ' LEU . 19.9 tp -51.17 -52.64 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -56.04 -54.99 38.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 42.3 mtmt -55.88 -12.98 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.918 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -96.49 -38.05 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -54.0 -34.75 60.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.3 ptp180 -48.81 -25.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.918 HG23 ' O ' ' A' ' 29' ' ' HIS . 8.7 pt -63.21 -35.29 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.428 ' N ' HG13 ' A' ' 32' ' ' ILE . 82.1 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.205 0 CA-C-O 120.779 0.241 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.86 ' HB3' HD22 ' A' ' 26' ' ' LEU . 58.4 mt -98.61 104.74 16.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.764 ' HB ' HG22 ' A' ' 19' ' ' THR . 1.5 p -123.77 127.91 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.9 t -56.74 114.29 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.24 0.67 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -94.13 -44.63 7.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.16 -37.92 4.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.39 41.87 2.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.534 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 49.7 tttt -110.07 119.59 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.764 HG22 ' HB ' ' A' ' 12' ' ' VAL . 71.1 p -79.4 155.69 28.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.534 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 73.5 m-85 -147.36 148.17 31.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.442 ' HG3' ' CD ' ' A' ' 22' ' ' GLN . 2.2 ptp180 -99.61 9.37 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.442 ' CD ' ' HG3' ' A' ' 21' ' ' ARG . 11.4 mp0 -137.49 117.51 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 23.2 t -50.66 -29.99 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.9 p -71.57 -41.93 68.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -55.8 -66.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.86 HD22 ' HB3' ' A' ' 11' ' ' LEU . 19.4 tp -45.91 -62.84 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 t -50.26 -59.07 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 31.7 mttp -58.58 -11.3 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.923 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.5 t60 -96.58 -38.14 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -54.37 -34.74 61.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.6 ptt180 -49.4 -23.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.923 HG23 ' O ' ' A' ' 29' ' ' HIS . 7.3 pt -67.01 -34.87 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' NE2' HD11 ' A' ' 32' ' ' ILE . 86.0 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.81 0.254 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.512 ' HB3' HD22 ' A' ' 26' ' ' LEU . 81.7 mt -96.54 102.03 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -118.52 148.77 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' GLY . 44.7 t -77.11 118.91 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -71.92 -13.16 61.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.21 -45.94 30.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.96 -37.95 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 106.63 35.91 2.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 7.8 ttmm -96.85 120.31 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.601 HG22 ' HB ' ' A' ' 12' ' ' VAL . 57.6 p -79.15 159.15 27.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 89.0 m-85 -152.45 156.1 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -90.57 -50.43 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -86.47 151.02 23.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.439 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 2.5 t -65.9 -35.45 80.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 73.5 m -70.43 -27.35 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 20' ' ' PHE . 4.7 m -60.52 -50.92 71.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 11' ' ' LEU . 18.5 tp -67.27 -59.27 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 p -53.26 -56.8 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' SER . 20.4 ttpt -58.02 -11.65 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.922 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.5 t60 -96.71 -37.35 10.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.475 HE21 HD11 ' A' ' 26' ' ' LEU . 32.2 mm-40 -54.02 -35.04 61.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 5.6 ptm180 -50.36 -22.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.922 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.9 pt -66.77 -33.7 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.423 ' NE2' HD11 ' A' ' 32' ' ' ILE . 85.0 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.22 0 CA-C-O 120.825 0.26 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.864 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -97.71 102.02 13.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.475 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.4 OUTLIER -120.96 141.37 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 17' ' ' GLY . 41.9 t -69.52 118.88 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -71.39 -10.07 59.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 6.5 mm-40 -83.4 -45.33 13.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -115.13 -37.9 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.38 41.64 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -106.62 120.11 41.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.475 HG22 ' HB ' ' A' ' 12' ' ' VAL . 52.0 p -73.76 155.4 38.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.91 168.89 18.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -90.6 -48.23 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -110.82 170.92 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.489 ' HA ' HD23 ' A' ' 11' ' ' LEU . 29.2 t -75.71 -44.41 42.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -54.83 -43.58 73.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.53 -63.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 11' ' ' LEU . 15.6 tp -50.89 -63.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 p -48.72 -57.26 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -52.69 -16.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.916 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.7 t60 -96.48 -35.77 11.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -57.78 -27.97 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.8 ptm180 -59.63 -18.86 45.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 29' ' ' HIS . 7.1 pt -68.17 -33.43 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.0 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.856 0.273 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.839 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -95.7 101.98 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.587 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -121.71 136.85 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 17' ' ' GLY . 48.8 t -65.71 117.51 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 26.2 t-20 -71.07 -11.35 60.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.68 -45.39 15.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.57 -37.76 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.68 40.78 2.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 6.5 ttmm -104.31 119.94 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.587 HG22 ' HB ' ' A' ' 12' ' ' VAL . 62.5 p -76.79 158.79 30.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.485 ' CD1' HD13 ' A' ' 26' ' ' LEU . 96.8 m-85 -145.1 136.22 24.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 22' ' ' GLN . 18.5 ptt-85 -73.23 -34.91 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 30.9 mt-30 -100.8 173.72 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 12.4 m -92.63 -41.72 10.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 t -65.33 -33.76 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.6 m -55.68 -66.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' A' ' 11' ' ' LEU . 57.0 tp -45.51 -56.5 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.7 t -52.96 -55.26 24.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -59.22 -11.71 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.922 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.4 t60 -96.39 -37.48 10.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -54.8 -36.15 64.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 13.0 ptp180 -49.34 -22.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.922 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.4 pt -65.79 -34.52 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.469 ' NE2' HD11 ' A' ' 32' ' ' ILE . 83.8 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.856 0.273 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.849 HD12 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -97.2 102.06 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.459 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.3 OUTLIER -123.09 145.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.828 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' GLY . 48.3 t -73.81 112.41 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.81 -3.58 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -90.68 -42.81 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.4 p -117.71 -37.63 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.89 41.72 2.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.542 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 37.8 tttt -107.47 118.22 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' HB ' ' A' ' 12' ' ' VAL . 68.0 p -74.06 154.74 39.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 26' ' ' LEU . 96.9 m-85 -138.06 166.54 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 19.6 ttp-105 -91.93 -50.16 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -103.05 165.47 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.588 ' HA ' HD23 ' A' ' 11' ' ' LEU . 57.0 p -69.01 -41.55 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 m -60.31 -51.3 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 m -38.87 -63.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.53 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 37.4 tp -53.85 -64.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLN . 3.1 m -44.31 -66.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 8.7 tppt? -44.67 -21.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -94.73 -32.47 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' SER . 26.7 mt-30 -60.17 -36.35 77.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.4 ptm180 -50.42 -19.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.4 pt -68.16 -33.83 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.547 ' NE2' HD11 ' A' ' 32' ' ' ILE . 78.1 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.206 0 CA-C-O 120.835 0.264 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.552 ' HB3' HD22 ' A' ' 26' ' ' LEU . 80.4 mt -98.6 105.24 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.8 OUTLIER -121.31 139.97 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 17' ' ' GLY . 53.2 t -68.86 119.34 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.62 -17.47 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.47 -42.78 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -117.67 -38.0 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.4 42.24 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -109.93 124.23 51.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.557 HG22 ' HB ' ' A' ' 12' ' ' VAL . 67.7 p -76.42 157.68 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CZ ' ' CG ' ' A' ' 29' ' ' HIS . 66.1 m-85 -143.25 171.2 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -75.07 -61.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -135.72 171.83 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' CYS . 33.0 p -49.0 -64.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' SER . 51.4 p -33.56 -36.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -76.65 -64.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.552 HD22 ' HB3' ' A' ' 11' ' ' LEU . 51.7 tp -49.51 -50.41 41.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' GLN . 9.5 t -52.56 -62.58 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -43.51 -26.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.879 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -94.37 -28.67 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.9 mm-40 -65.38 -16.5 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.2 ptm180 -82.43 -8.68 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.879 HG23 ' O ' ' A' ' 29' ' ' HIS . 3.4 pt -73.85 -26.83 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.883 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.233 0.228 0 CA-C-O 120.844 0.268 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.835 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -94.3 102.02 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.89 144.46 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' HA ' HD11 ' A' ' 26' ' ' LEU . 33.7 t -72.9 113.39 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -68.75 -3.33 11.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 8.2 mm-40 -89.21 -43.78 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -115.74 -37.72 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.98 40.91 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -110.24 125.34 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 p -76.84 160.41 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -142.19 167.45 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 21' ' ' ARG . 12.3 mtp-105 -92.89 -45.59 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -110.11 160.46 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.557 ' HA ' HD23 ' A' ' 11' ' ' LEU . 68.8 p -67.64 -49.15 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 23.3 t -53.49 -38.89 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.4 m -57.16 -60.07 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 13' ' ' CYS . 29.0 tp -56.36 -62.0 2.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.6 p -50.69 -56.52 11.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 27.7 ttmt -54.81 -14.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.935 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -96.55 -36.3 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -55.84 -34.57 65.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -50.1 -22.41 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 29' ' ' HIS . 8.1 pt -66.27 -34.71 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.2 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.811 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.767 0.236 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.53 ' HB3' HD22 ' A' ' 26' ' ' LEU . 10.8 mt -97.99 111.17 23.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.591 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -125.87 140.82 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' A' ' 17' ' ' GLY . 35.5 t -69.75 117.68 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -71.59 -16.81 62.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.443 ' CD ' ' HB2' ' A' ' 33' ' ' HIS . 3.2 mt-10 -73.18 -44.12 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.3 p -117.14 -37.99 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.87 41.91 2.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -107.99 123.5 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.591 HG22 ' HB ' ' A' ' 12' ' ' VAL . 58.5 p -77.97 153.27 32.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -135.05 169.6 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -34.18 10.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -119.59 155.75 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -62.55 -49.72 74.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 t -59.37 -39.35 83.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.59 -42.98 84.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 11' ' ' LEU . 14.7 tp -74.58 -51.57 14.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -54.72 -57.48 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 7.5 pttp -47.86 -27.52 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.819 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.1 t60 -94.27 -28.26 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.14 -13.98 61.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 11.9 ptp180 -90.0 -9.09 49.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.819 HG23 ' O ' ' A' ' 29' ' ' HIS . 3.1 pt -70.88 -28.57 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.443 ' HB2' ' CD ' ' A' ' 15' ' ' GLU . 88.1 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.826 0.261 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.695 ' HB3' HD22 ' A' ' 26' ' ' LEU . 40.6 mt -94.02 111.85 23.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.786 ' HB ' HG22 ' A' ' 19' ' ' THR . 1.4 p -127.85 135.14 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' GLY . 49.3 t -64.3 119.27 9.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -74.22 -9.58 58.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -82.38 -43.61 17.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.89 -37.98 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.94 41.77 2.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -107.11 119.88 40.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.786 HG22 ' HB ' ' A' ' 12' ' ' VAL . 79.4 p -80.31 152.14 29.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -139.51 156.45 46.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -86.91 -48.32 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -95.36 154.03 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 16.7 m -67.07 -34.76 78.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.3 t -69.02 -31.01 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.3 m -59.01 -50.26 74.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 11' ' ' LEU . 16.1 tp -67.87 -54.81 16.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -54.37 -58.31 7.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -57.34 -11.96 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.902 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.4 t60 -96.65 -36.52 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -56.39 -34.75 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.9 ptp180 -49.37 -22.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.902 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.2 pt -68.27 -34.42 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.874 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -59.65 118.19 5.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -57.39 -46.63 83.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.39 -48.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 m 53.61 41.96 31.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -74.18 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.37 -113.26 0.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 tttm 68.04 42.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.9 138.51 82.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.563 0.697 . . . . 0.0 110.906 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 168.94 20.01 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.681 2.254 . . . . 0.0 112.377 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.725 ' HB3' HD22 ' A' ' 26' ' ' LEU . 23.1 mt -106.36 102.68 12.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.671 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -119.12 146.18 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' GLY . 26.5 t -72.97 111.06 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -67.92 -3.8 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.52 -43.6 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.83 -37.29 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 103.43 41.56 2.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -107.43 119.93 40.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.671 HG22 ' HB ' ' A' ' 12' ' ' VAL . 76.1 p -80.18 146.36 31.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -130.61 167.87 18.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -95.9 -48.58 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -93.05 164.14 13.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.462 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 75.4 p -79.86 -41.79 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.3 t -64.82 -31.69 73.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 m -60.01 -66.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 11' ' ' LEU . 14.4 tp -47.61 -56.46 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.3 t -53.04 -58.6 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 70.8 mttt -53.61 -15.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.878 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 t60 -95.04 -36.26 11.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -57.8 -36.86 72.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -49.34 -21.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.878 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.8 pt -66.44 -34.99 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.512 ' NE2' HD11 ' A' ' 32' ' ' ILE . 76.8 m-70 -89.72 -46.48 8.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 t -94.97 119.63 33.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.04 -120.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.08 172.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.9 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -70.17 152.89 95.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 92.99 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 t -73.76 -54.2 8.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.51 -118.93 0.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 2.52 3.45 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 m -77.82 -61.16 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.6 t -79.97 -59.79 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.1 -0.834 . . . . 0.0 112.497 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -96.79 172.33 7.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -138.73 112.46 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.0 141.16 2.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -74.67 139.36 43.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 p -80.63 -56.73 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.58 -140.33 2.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -123.66 175.55 6.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -109.7 148.83 38.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.72 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 167.16 25.23 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.391 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 21.0 mt -105.09 105.22 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.436 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -121.76 146.46 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' GLY . 49.1 t -72.27 118.7 15.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -73.15 -10.52 59.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.515 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 18.6 mm-40 -82.58 -43.65 16.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.37 -37.83 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.6 41.76 2.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 55.4 tttt -107.82 119.72 40.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.436 HG22 ' HB ' ' A' ' 12' ' ' VAL . 75.2 p -71.77 155.93 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CD1' HD13 ' A' ' 26' ' ' LEU . 84.5 m-85 -142.1 160.12 40.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.11 -45.95 7.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -100.09 151.23 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.446 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 29.1 m -65.1 -57.46 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 23.2 t -51.51 -31.98 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.69 -59.63 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 20' ' ' PHE . 34.0 tp -58.48 -55.44 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -47.13 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 3.1 tmmm? -63.38 -13.95 44.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.93 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -96.42 -36.45 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -56.27 -34.87 66.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 1.9 ptt180 -50.05 -21.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.93 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.8 pt -68.45 -33.74 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.1 m-70 -87.65 -44.94 10.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' HIS . 1.1 t -36.6 -52.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.12 144.76 10.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -141.87 169.96 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -60.53 143.57 89.93 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 110.879 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' O ' ' HD2' ' A' ' 37' ' ' LYS . 53.2 Cg_endo -69.78 173.0 11.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -120.31 166.27 13.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.59 168.63 5.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 177.44 5.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.36 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.4 m 61.9 41.67 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.3 t -77.87 -58.05 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.491 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 t -90.81 148.06 22.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 m -99.24 173.13 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.9 72.25 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -148.78 123.62 9.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -88.7 -50.43 6.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.57 47.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -127.53 155.37 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -103.44 154.87 37.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 163.84 36.75 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.756 ' HB3' HD22 ' A' ' 26' ' ' LEU . 56.8 mt -99.0 104.16 16.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.517 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -121.0 144.06 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' GLY . 44.8 t -72.79 118.25 15.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -71.32 -11.34 60.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.68 -46.03 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 p -115.03 -37.95 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.51 41.24 2.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.55 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 36.6 tttm -104.91 117.96 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.517 HG22 ' HB ' ' A' ' 12' ' ' VAL . 82.8 p -73.4 160.76 31.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.55 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 92.0 m-85 -148.76 166.41 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -107.07 -37.9 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -102.55 136.98 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.5 p -51.81 -37.63 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.0 m -67.33 -43.58 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.3 m -47.37 -54.14 11.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.756 HD22 ' HB3' ' A' ' 11' ' ' LEU . 16.9 tp -65.63 -59.88 3.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 m -49.27 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 62.2 mmtt -50.37 -16.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.887 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.0 t60 -95.67 -36.08 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.5 -29.76 64.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.1 ptt180 -57.86 -20.52 37.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.887 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.9 pt -67.86 -33.81 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.599 ' NE2' HD11 ' A' ' 32' ' ' ILE . 83.6 m-70 -93.23 -54.13 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.6 t -54.82 116.54 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.45 104.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -81.97 155.08 25.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -114.53 133.24 22.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.54 0.686 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 86.75 0.56 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.704 2.27 . . . . 0.0 112.378 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.5 p -124.57 119.57 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.49 -174.76 36.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.75 24.4 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -60.35 133.78 56.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.2 m -149.13 144.39 26.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.493 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -86.04 -46.99 9.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -142.58 103.88 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.83 -157.24 7.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 t -49.02 -44.65 41.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -122.22 128.23 50.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.04 143.65 12.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -157.49 142.17 16.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -67.25 139.73 95.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.546 0.689 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.58 21.13 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.312 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.83 ' HB3' HD22 ' A' ' 26' ' ' LEU . 41.2 mt -108.4 104.32 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.559 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.2 OUTLIER -109.89 144.91 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' GLY . 22.3 t -70.53 116.34 10.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.06 -3.28 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.603 ' CD ' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -96.69 -49.76 4.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.4 p -109.8 -31.6 7.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 92.78 44.76 3.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.496 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 35.0 tttp -107.93 118.24 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 12' ' ' VAL . 44.6 p -77.21 135.46 38.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 92.0 m-85 -124.43 149.32 46.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -72.99 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -80.05 169.0 18.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.456 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 3.5 t -85.22 -49.5 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.1 p -55.79 -34.27 65.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.2 m -56.65 -61.7 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 11' ' ' LEU . 12.3 tp -50.74 -58.67 5.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -51.68 -57.85 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 24.0 mmmt -57.09 -13.58 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 t60 -95.13 -37.11 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -57.03 -37.04 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.2 ptt180 -48.52 -23.01 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.0 pt -65.24 -35.56 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' NE2' HD11 ' A' ' 32' ' ' ILE . 78.6 m-70 -87.15 -50.06 6.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 t -57.28 157.78 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.6 -160.13 12.55 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 pm0 -90.45 148.13 22.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 152.56 92.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 175.42 8.14 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.274 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.1 m -80.97 123.24 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.6 -155.44 12.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 85.56 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -51.13 -49.63 60.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 m -48.45 -44.6 35.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.136 -0.814 . . . . 0.0 112.517 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -109.79 115.9 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -135.64 157.83 45.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.03 -99.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 p -131.62 131.51 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -56.62 -48.76 76.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.99 65.52 1.38 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -92.7 -50.99 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.09 139.3 52.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 161.89 44.19 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' HB3' HD23 ' A' ' 26' ' ' LEU . 15.7 mt -98.19 102.17 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.755 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -118.33 145.86 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' GLY . 25.2 t -70.72 110.8 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -69.34 -2.61 11.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.01 -42.39 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.7 -35.44 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.68 41.94 2.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -106.56 118.98 38.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.755 HG22 ' HB ' ' A' ' 12' ' ' VAL . 68.0 p -82.2 144.07 30.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.469 ' CD1' HD13 ' A' ' 26' ' ' LEU . 53.0 m-85 -128.91 171.12 12.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -90.36 -50.97 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -105.66 169.33 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 49.9 p -75.79 -40.92 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.0 m -59.72 -39.14 83.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.3 m -59.19 -57.82 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' A' ' 11' ' ' LEU . 19.9 tp -58.13 -44.49 87.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 m -59.53 -59.7 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 26.6 mtmm -53.36 -15.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.874 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.6 t60 -94.64 -34.84 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.453 ' NE2' ' SG ' ' A' ' 13' ' ' CYS . 27.3 mm-40 -59.09 -36.1 74.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 4.1 ptm180 -50.77 -19.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.4 pt -68.01 -32.94 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.529 ' NE2' HD11 ' A' ' 32' ' ' ILE . 74.4 m-70 -92.32 -43.84 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.5 p -138.79 115.85 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.0 44.77 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -106.09 148.92 27.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.95 0.405 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' C ' ' H ' ' A' ' 39' ' ' SER . 6.6 mtpm? -66.27 136.77 95.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.541 0.686 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 39' ' ' SER . 53.3 Cg_endo -69.72 12.53 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 38' ' ' PRO . 6.8 m -33.81 -54.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.87 132.31 5.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -36.25 11.08 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.4 t -87.89 131.78 34.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.5 p -156.83 153.6 28.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.5 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 p -39.97 -58.52 1.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -99.86 140.89 33.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.12 118.02 9.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -77.66 167.05 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -85.25 110.1 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.79 109.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -80.85 14.16 2.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -72.74 152.05 91.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.565 0.698 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 168.4 21.67 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 13.3 mt -104.56 102.25 11.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.759 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -119.18 146.7 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' GLY . 30.4 t -73.85 112.73 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -69.49 -3.05 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -91.15 -44.03 9.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.83 -34.92 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 99.79 41.93 2.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -107.33 119.32 39.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.759 HG22 ' HB ' ' A' ' 12' ' ' VAL . 76.7 p -81.69 147.25 29.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -133.67 165.09 25.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -92.45 -47.7 7.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -92.83 167.23 11.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.421 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 4.5 t -80.62 -43.46 20.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.5 p -64.15 -32.71 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 m -57.39 -55.62 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 11' ' ' LEU . 28.7 tp -63.46 -54.55 34.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.5 t -53.7 -59.74 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 31.7 mmtt -53.96 -14.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.886 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.9 t60 -95.73 -36.8 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' A' ' 13' ' ' CYS . 23.3 mm-40 -58.08 -35.12 70.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.6 ptm180 -49.42 -21.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.886 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.0 pt -68.25 -34.47 66.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.505 ' NE2' HD11 ' A' ' 32' ' ' ILE . 79.8 m-70 -89.74 -45.93 8.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.8 p -38.3 -44.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.63 -92.39 0.39 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -60.33 170.83 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.39 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -99.53 148.44 34.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 9.91 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.2 p -42.21 -40.42 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.15 124.39 8.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.447 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 86.06 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.256 . . . . 0.0 112.29 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 p -114.91 118.8 34.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.0 t -131.72 143.15 50.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.473 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 p -94.42 170.83 9.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -62.74 146.18 53.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.13 -46.06 3.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 m -61.79 146.63 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.825 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -141.45 139.55 33.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.98 79.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -85.84 -53.78 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -85.56 154.41 59.13 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.567 0.699 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 165.48 30.84 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.713 2.275 . . . . 0.0 112.367 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.732 ' HB3' HD22 ' A' ' 26' ' ' LEU . 54.7 mt -104.92 102.91 12.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.474 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.2 OUTLIER -116.24 143.41 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.532 ' O ' ' N ' ' A' ' 17' ' ' GLY . 14.2 t -70.38 111.06 5.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -64.05 -10.64 23.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.598 ' CD ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -84.73 -52.7 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -108.04 -37.95 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.98 42.1 2.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -105.16 118.91 37.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.474 HG22 ' HB ' ' A' ' 12' ' ' VAL . 55.5 p -75.49 148.27 39.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -134.33 169.17 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -91.02 -62.02 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -95.97 174.92 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -76.59 -52.93 8.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.0 t -49.24 -35.43 17.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.9 m -60.81 -64.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 11' ' ' LEU . 7.6 tp -53.56 -53.91 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.7 t -54.6 -57.05 12.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -54.8 -14.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.883 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.5 t60 -95.11 -36.27 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -57.55 -36.6 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.2 ptm180 -49.62 -20.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.6 pt -67.22 -34.35 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -88.03 -43.35 11.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -65.1 175.92 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.74 85.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -86.81 160.3 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 125.62 88.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.717 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 94.05 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -59.03 -53.34 59.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.24 153.93 20.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.9 Cg_endo -69.75 2.89 3.12 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.693 2.262 . . . . 0.0 112.373 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 41' ' ' PRO . 6.2 m -34.43 -61.78 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.4 m -91.92 -60.44 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 p -117.6 16.91 14.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -92.71 -59.33 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.58 -79.3 0.15 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 p -110.15 -36.54 5.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.92 0.39 . . . . 0.0 110.843 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -63.83 102.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.31 124.73 0.92 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt 42.32 31.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 13.9 ttmt -68.35 143.42 95.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.537 0.685 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 54.0 Cg_endo -69.69 174.0 10.09 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.666 2.244 . . . . 0.0 112.383 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' A' ' 23' ' ' SER . 22.8 mt -107.6 103.09 12.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.561 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.4 OUTLIER -120.87 145.87 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.085 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 17' ' ' GLY . 38.2 t -74.61 114.03 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.16 -3.15 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 7.7 mm-40 -90.6 -42.87 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.4 p -117.37 -36.2 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 100.11 42.51 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -110.42 120.59 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.561 HG22 ' HB ' ' A' ' 12' ' ' VAL . 71.8 p -76.91 150.69 35.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -133.02 175.75 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -89.02 -59.37 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -105.22 175.65 5.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.664 ' HA ' HD13 ' A' ' 11' ' ' LEU . 15.6 m -73.98 -63.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.1 t -38.73 -39.08 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.4 m -60.69 -61.28 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' A' ' 11' ' ' LEU . 20.4 tp -57.15 -53.82 53.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.9 p -55.56 -55.97 25.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 6.9 ttpt -54.71 -14.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.917 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.2 t60 -95.76 -37.25 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -56.99 -34.59 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 4.2 ptt180 -49.79 -22.52 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.917 HG23 ' O ' ' A' ' 29' ' ' HIS . 7.4 pt -66.72 -34.64 71.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 81.7 m-70 -87.48 -55.6 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t 55.5 40.33 31.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.71 -166.72 34.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -106.08 163.6 12.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -71.35 157.24 90.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.6 t 56.13 41.1 29.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.73 -125.55 2.51 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 2.58 3.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m 55.5 41.32 30.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 t -150.81 150.3 30.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.066 -0.852 . . . . 0.0 112.516 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -147.54 152.68 38.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -88.19 17.99 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.32 47.92 61.05 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -112.11 174.89 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -110.28 115.95 30.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.31 136.87 30.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.537 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -55.24 -49.02 73.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -91.94 138.49 24.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 165.65 30.18 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.64 ' HB3' HD22 ' A' ' 26' ' ' LEU . 14.7 mt -101.39 102.69 13.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.741 ' HB ' HG22 ' A' ' 19' ' ' THR . 1.1 p -118.51 133.07 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -57.96 114.81 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -72.86 2.44 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -96.62 -46.12 6.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.61 -37.95 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.88 41.21 2.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -111.3 126.62 55.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.741 HG22 ' HB ' ' A' ' 12' ' ' VAL . 71.1 p -84.18 147.94 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -129.15 160.54 32.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -85.55 -52.81 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -93.94 170.23 9.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 4.9 t -80.07 -45.0 19.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.9 p -62.39 -35.19 78.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.06 -55.41 31.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 11' ' ' LEU . 18.5 tp -60.0 -56.45 21.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.4 p -51.7 -60.02 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 24.3 mmtt -53.56 -14.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.899 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 t60 -95.37 -37.65 10.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.62 -27.93 65.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -59.69 -19.11 47.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.899 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.4 pt -68.42 -33.56 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -87.02 -42.94 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -39.34 -60.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.63 102.84 0.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -84.76 162.99 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.46 135.47 65.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -173.52 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 p -68.25 174.41 3.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -146.93 -154.39 6.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 5.47 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.378 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 t -52.03 119.45 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.0 p -94.61 162.22 13.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.471 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -116.01 114.82 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -139.16 119.91 14.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.18 146.74 33.72 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -98.89 147.2 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.821 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.8 p -101.41 -37.73 8.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.43 49.85 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -67.34 -45.6 75.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.858 0.361 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -63.78 139.68 97.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.708 . . . . 0.0 110.868 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 161.53 45.56 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 23' ' ' SER . 22.3 mt -95.78 102.8 14.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.732 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -118.36 147.61 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 17' ' ' GLY . 18.8 t -70.89 108.94 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.59 -2.11 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.45 -41.5 9.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.1 p -117.96 -37.3 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 104.67 40.6 2.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -105.69 119.88 40.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.732 HG22 ' HB ' ' A' ' 12' ' ' VAL . 76.9 p -82.6 146.45 29.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -132.8 169.45 16.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -93.4 -49.02 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -100.08 165.54 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 46.8 t -74.03 -52.21 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.7 m -53.4 -34.13 56.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.9 m -58.98 -62.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD22 ' C ' ' A' ' 11' ' ' LEU . 22.0 tp -53.18 -52.46 58.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.6 m -55.15 -59.45 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 14.9 mtpp -53.59 -15.06 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.896 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.0 t60 -95.58 -36.06 11.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -58.28 -35.05 71.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 5.6 ptm180 -50.64 -20.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.896 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.4 pt -67.49 -32.75 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' NE2' HD11 ' A' ' 32' ' ' ILE . 72.3 m-70 -92.98 -50.97 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.796 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 t 52.17 43.88 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.99 -57.9 3.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -135.03 142.39 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -74.66 133.49 76.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.561 0.696 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 10.09 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.1 p -80.61 137.57 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.86 -156.67 17.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 106.65 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 p -161.03 160.32 30.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.3 m -124.73 119.62 29.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.529 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -156.12 150.61 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -48.43 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.76 -105.24 2.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -142.27 142.51 32.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -78.77 159.44 27.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.98 58.73 0.59 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -70.77 -46.41 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -65.62 142.47 98.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 169.48 18.81 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.707 HD13 ' HA ' ' A' ' 23' ' ' SER . 18.9 mt -108.32 102.39 11.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -118.79 141.7 37.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' GLY . 31.4 t -71.19 112.42 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.32 -3.36 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -90.95 -43.66 9.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.8 p -117.48 -36.59 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.55 42.28 2.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -107.08 117.9 35.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.601 HG22 ' HB ' ' A' ' 12' ' ' VAL . 69.1 p -77.63 148.35 35.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -133.15 169.97 16.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -88.9 -46.87 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -111.81 170.53 8.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.707 ' HA ' HD13 ' A' ' 11' ' ' LEU . 69.7 m -78.52 -47.29 17.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.9 m -50.9 -40.6 57.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.0 -62.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 11' ' ' LEU . 19.9 tp -51.17 -52.64 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -56.04 -54.99 38.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 42.3 mtmt -55.88 -12.98 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.918 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -96.49 -38.05 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -54.0 -34.75 60.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.3 ptp180 -48.81 -25.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.918 HG23 ' O ' ' A' ' 29' ' ' HIS . 8.7 pt -63.21 -35.29 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.428 ' N ' HG13 ' A' ' 32' ' ' ILE . 82.1 m-70 -87.38 -29.15 21.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 33' ' ' HIS . 24.0 p -37.59 -41.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.31 41.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -83.44 18.0 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 137.7 22.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.577 0.703 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.03 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.641 2.228 . . . . 0.0 112.344 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.5 t -58.05 -50.01 74.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.06 153.36 5.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 155.76 65.11 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.622 2.215 . . . . 0.0 112.367 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.5 m -136.54 121.61 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -58.82 -52.82 64.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.091 -0.839 . . . . 0.0 112.476 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -88.24 175.26 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -135.61 131.46 35.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.32 -74.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.468 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -107.38 147.72 29.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -75.01 -47.11 30.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.9 -148.19 4.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -147.95 134.14 19.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.353 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -66.51 144.12 98.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.504 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.7 Cg_endo -69.71 164.09 35.8 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.86 ' HB3' HD22 ' A' ' 26' ' ' LEU . 58.4 mt -98.61 104.74 16.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.764 ' HB ' HG22 ' A' ' 19' ' ' THR . 1.5 p -123.77 127.91 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.9 t -56.74 114.29 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.24 0.67 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -94.13 -44.63 7.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.16 -37.92 4.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.39 41.87 2.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.534 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 49.7 tttt -110.07 119.59 39.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.764 HG22 ' HB ' ' A' ' 12' ' ' VAL . 71.1 p -79.4 155.69 28.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.534 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 73.5 m-85 -147.36 148.17 31.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.442 ' HG3' ' CD ' ' A' ' 22' ' ' GLN . 2.2 ptp180 -99.61 9.37 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.442 ' CD ' ' HG3' ' A' ' 21' ' ' ARG . 11.4 mp0 -137.49 117.51 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 23.2 t -50.66 -29.99 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.9 p -71.57 -41.93 68.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -55.8 -66.19 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.86 HD22 ' HB3' ' A' ' 11' ' ' LEU . 19.4 tp -45.91 -62.84 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 t -50.26 -59.07 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 31.7 mttp -58.58 -11.3 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.923 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.5 t60 -96.58 -38.14 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -54.37 -34.74 61.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.6 ptt180 -49.4 -23.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.923 HG23 ' O ' ' A' ' 29' ' ' HIS . 7.3 pt -67.01 -34.87 72.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' NE2' HD11 ' A' ' 32' ' ' ILE . 86.0 m-70 -89.34 -45.34 9.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 m -157.77 103.23 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.53 -142.54 0.15 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -81.11 145.54 31.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -110.82 132.34 21.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 92.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.1 m -83.1 161.9 21.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.23 156.08 8.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 123.2 9.85 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -91.7 -48.41 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t -154.65 163.25 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.453 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -73.16 153.39 40.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.819 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -67.96 152.09 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.89 -48.67 0.94 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -108.04 137.32 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -78.66 -55.22 5.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.18 -51.76 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -66.88 -51.9 49.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -76.92 158.01 80.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.871 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 162.17 43.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.512 ' HB3' HD22 ' A' ' 26' ' ' LEU . 81.7 mt -96.54 102.03 13.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.5 OUTLIER -118.52 148.77 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' GLY . 44.7 t -77.11 118.91 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -71.92 -13.16 61.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -76.21 -45.94 30.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.96 -37.95 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 106.63 35.91 2.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 29' ' ' HIS . 7.8 ttmm -96.85 120.31 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.601 HG22 ' HB ' ' A' ' 12' ' ' VAL . 57.6 p -79.15 159.15 27.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CE2' ' O ' ' A' ' 18' ' ' LYS . 89.0 m-85 -152.45 156.1 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -90.57 -50.43 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -86.47 151.02 23.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.439 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 2.5 t -65.9 -35.45 80.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 73.5 m -70.43 -27.35 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 20' ' ' PHE . 4.7 m -60.52 -50.92 71.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 11' ' ' LEU . 18.5 tp -67.27 -59.27 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 p -53.26 -56.8 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' SER . 20.4 ttpt -58.02 -11.65 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.922 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.5 t60 -96.71 -37.35 10.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.475 HE21 HD11 ' A' ' 26' ' ' LEU . 32.2 mm-40 -54.02 -35.04 61.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 5.6 ptm180 -50.36 -22.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.922 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.9 pt -66.77 -33.7 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.423 ' NE2' HD11 ' A' ' 32' ' ' ILE . 85.0 m-70 -91.17 -44.2 9.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' GLY . 13.6 t -63.78 167.35 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -37.27 154.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.03 17.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 2.2 ttmp? -61.35 139.52 94.74 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 54.2 Cg_endo -69.72 175.09 8.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 m -149.44 164.03 36.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.59 -148.02 0.13 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' SER . 54.1 Cg_endo -69.76 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.64 2.227 . . . . 0.0 112.389 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' PRO . 32.6 t -34.49 -43.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.1 t -82.35 -55.26 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.456 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.7 m -109.95 162.6 14.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.845 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -129.96 124.82 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.47 46.95 36.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -76.85 -46.77 23.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -49.53 -49.5 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.97 73.57 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -69.23 -58.12 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -118.83 139.41 27.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 168.57 21.11 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.662 2.241 . . . . 0.0 112.395 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.864 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -97.71 102.02 13.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.475 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.4 OUTLIER -120.96 141.37 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 17' ' ' GLY . 41.9 t -69.52 118.88 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -71.39 -10.07 59.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 6.5 mm-40 -83.4 -45.33 13.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -115.13 -37.9 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.38 41.64 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -106.62 120.11 41.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.475 HG22 ' HB ' ' A' ' 12' ' ' VAL . 52.0 p -73.76 155.4 38.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.91 168.89 18.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -90.6 -48.23 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -110.82 170.92 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.489 ' HA ' HD23 ' A' ' 11' ' ' LEU . 29.2 t -75.71 -44.41 42.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -54.83 -43.58 73.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.53 -63.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 11' ' ' LEU . 15.6 tp -50.89 -63.11 1.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 p -48.72 -57.26 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -52.69 -16.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.916 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.7 t60 -96.48 -35.77 11.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -57.78 -27.97 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.8 ptm180 -59.63 -18.86 45.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 29' ' ' HIS . 7.1 pt -68.17 -33.43 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.0 m-70 -87.63 -53.47 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -62.54 146.72 51.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.59 73.92 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -108.77 175.76 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -72.63 141.76 82.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.715 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 103.43 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 t -152.05 121.73 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.806 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.23 160.85 8.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 5.29 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -78.2 9.27 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -66.45 122.84 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.473 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m -112.67 144.41 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -87.33 128.51 35.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.28 -73.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 p -65.02 -46.4 81.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 110.821 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 m -58.43 -46.21 86.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.94 -158.91 27.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' C ' ' HD2' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -147.11 141.07 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.876 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -74.83 150.37 86.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.512 0.673 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 167.86 23.27 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.839 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -95.7 101.98 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.587 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -121.71 136.85 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 17' ' ' GLY . 48.8 t -65.71 117.51 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 14' ' ' ASN . 26.2 t-20 -71.07 -11.35 60.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -81.68 -45.39 15.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.57 -37.76 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.68 40.78 2.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 6.5 ttmm -104.31 119.94 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.587 HG22 ' HB ' ' A' ' 12' ' ' VAL . 62.5 p -76.79 158.79 30.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.485 ' CD1' HD13 ' A' ' 26' ' ' LEU . 96.8 m-85 -145.1 136.22 24.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 22' ' ' GLN . 18.5 ptt-85 -73.23 -34.91 66.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 30.9 mt-30 -100.8 173.72 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 12.4 m -92.63 -41.72 10.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.4 t -65.33 -33.76 76.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.6 m -55.68 -66.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' A' ' 11' ' ' LEU . 57.0 tp -45.51 -56.5 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.7 t -52.96 -55.26 24.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -59.22 -11.71 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.922 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.4 t60 -96.39 -37.48 10.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -54.8 -36.15 64.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 13.0 ptp180 -49.34 -22.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.922 HG23 ' O ' ' A' ' 29' ' ' HIS . 5.4 pt -65.79 -34.52 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.469 ' NE2' HD11 ' A' ' 32' ' ' ILE . 83.8 m-70 -90.5 -42.52 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 t -43.81 -44.65 6.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.31 78.09 0.99 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -108.99 176.41 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.943 0.401 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -78.6 152.34 77.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.63 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.342 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t 58.13 41.99 22.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.62 -159.5 30.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 142.76 49.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.274 . . . . 0.0 112.37 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.8 p -123.0 156.69 34.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.9 m -83.3 166.42 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.456 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.9 p -96.9 130.18 44.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -124.77 156.07 38.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.24 62.0 0.39 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -98.0 105.6 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -134.63 123.36 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.62 -74.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -41.37 -39.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -64.74 149.59 95.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.63 16.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.617 2.211 . . . . 0.0 112.321 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.849 HD12 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -97.2 102.06 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.459 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.3 OUTLIER -123.09 145.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.828 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 17' ' ' GLY . 48.3 t -73.81 112.41 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.81 -3.58 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -90.68 -42.81 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.4 p -117.71 -37.63 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.89 41.72 2.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.542 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 37.8 tttt -107.47 118.22 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.383 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' HB ' ' A' ' 12' ' ' VAL . 68.0 p -74.06 154.74 39.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 26' ' ' LEU . 96.9 m-85 -138.06 166.54 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 19.6 ttp-105 -91.93 -50.16 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -103.05 165.47 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.588 ' HA ' HD23 ' A' ' 11' ' ' LEU . 57.0 p -69.01 -41.55 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 m -60.31 -51.3 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 m -38.87 -63.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 37.4 tp -53.85 -64.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLN . 3.1 m -44.31 -66.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 8.7 tppt? -44.67 -21.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -94.73 -32.47 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' SER . 26.7 mt-30 -60.17 -36.35 77.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.4 ptm180 -50.42 -19.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 29' ' ' HIS . 4.4 pt -68.16 -33.83 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.547 ' NE2' HD11 ' A' ' 32' ' ' ILE . 78.1 m-70 -91.83 -52.57 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 t 55.3 41.95 30.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.81 64.33 4.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -83.6 160.67 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.943 0.401 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.72 115.65 22.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 83.53 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.607 2.205 . . . . 0.0 112.363 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.1 t -156.31 110.56 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.51 -162.99 15.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.79 63.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.332 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -54.27 172.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.8 p -59.17 -45.65 90.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.429 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' GLY . 6.5 t -37.96 -54.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 t -86.88 142.26 28.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.66 -116.96 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.528 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 t -130.48 151.7 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -89.56 -47.14 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.44 94.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 39.4 pttt -46.08 -33.33 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 36.8 mtmm -83.01 153.95 67.08 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 0.0 110.859 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.85 48.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.552 ' HB3' HD22 ' A' ' 26' ' ' LEU . 80.4 mt -98.6 105.24 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.8 OUTLIER -121.31 139.97 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 17' ' ' GLY . 53.2 t -68.86 119.34 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.62 -17.47 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.47 -42.78 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -117.67 -38.0 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.4 42.24 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -109.93 124.23 51.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.557 HG22 ' HB ' ' A' ' 12' ' ' VAL . 67.7 p -76.42 157.68 32.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CZ ' ' CG ' ' A' ' 29' ' ' HIS . 66.1 m-85 -143.25 171.2 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -75.07 -61.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -135.72 171.83 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' CYS . 33.0 p -49.0 -64.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' SER . 51.4 p -33.56 -36.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.9 OUTLIER -76.65 -64.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.552 HD22 ' HB3' ' A' ' 11' ' ' LEU . 51.7 tp -49.51 -50.41 41.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 30' ' ' GLN . 9.5 t -52.56 -62.58 1.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -43.51 -26.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.879 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -94.37 -28.67 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' SER . 5.9 mm-40 -65.38 -16.5 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.2 ptm180 -82.43 -8.68 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.879 HG23 ' O ' ' A' ' 29' ' ' HIS . 3.4 pt -73.85 -26.83 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -91.96 -39.22 11.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.4 p -85.9 12.05 10.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.37 -124.91 5.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 mp0 -88.81 169.36 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -93.83 141.67 24.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 110.02 2.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.6 t -88.47 145.44 25.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.3 178.76 43.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.541 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.33 19.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.0 p -51.38 -52.37 46.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.2 p -152.3 169.75 21.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.485 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -145.23 131.13 19.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -121.42 171.77 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.94 -55.53 0.51 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -61.54 156.45 19.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -49.76 -43.7 48.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.33 -74.13 1.73 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -43.31 -58.03 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.92 137.25 94.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.536 0.684 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.95 11.68 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.754 2.303 . . . . 0.0 112.332 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.835 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -94.3 102.02 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.89 144.46 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' HA ' HD11 ' A' ' 26' ' ' LEU . 33.7 t -72.9 113.39 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -68.75 -3.33 11.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 8.2 mm-40 -89.21 -43.78 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -115.74 -37.72 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.98 40.91 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -110.24 125.34 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 p -76.84 160.41 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -142.19 167.45 22.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 21' ' ' ARG . 12.3 mtp-105 -92.89 -45.59 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -110.11 160.46 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.557 ' HA ' HD23 ' A' ' 11' ' ' LEU . 68.8 p -67.64 -49.15 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 23.3 t -53.49 -38.89 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.4 m -57.16 -60.07 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 13' ' ' CYS . 29.0 tp -56.36 -62.0 2.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.6 p -50.69 -56.52 11.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 27.7 ttmt -54.81 -14.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.935 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.9 t60 -96.55 -36.3 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -55.84 -34.57 65.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -50.1 -22.41 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 29' ' ' HIS . 8.1 pt -66.27 -34.71 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 15' ' ' GLU . 85.2 m-70 -87.85 -45.58 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.811 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.0 m -43.07 -49.16 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.06 150.37 37.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -127.47 145.96 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -88.24 155.86 51.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.573 0.701 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 84.34 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.382 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.9 p -116.68 -34.82 4.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.12 -114.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.44 2.78 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -124.48 153.42 42.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.4 m -107.88 164.29 12.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.471 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -143.28 164.79 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -137.25 122.96 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.47 148.25 40.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.453 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -58.77 -46.22 88.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -128.1 177.36 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.74 -64.56 3.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -129.26 155.87 44.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -112.04 143.1 28.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.565 0.698 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 159.18 54.38 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.725 2.284 . . . . 0.0 112.363 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.53 ' HB3' HD22 ' A' ' 26' ' ' LEU . 10.8 mt -97.99 111.17 23.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.591 ' HB ' HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -125.87 140.82 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' A' ' 17' ' ' GLY . 35.5 t -69.75 117.68 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -71.59 -16.81 62.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' CD ' ' HB2' ' A' ' 33' ' ' HIS . 3.2 mt-10 -73.18 -44.12 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.3 p -117.14 -37.99 3.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 102.87 41.91 2.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -107.99 123.5 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.591 HG22 ' HB ' ' A' ' 12' ' ' VAL . 58.5 p -77.97 153.27 32.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -135.05 169.6 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -34.18 10.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -119.59 155.75 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.6 m -62.55 -49.72 74.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 t -59.37 -39.35 83.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.59 -42.98 84.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 11' ' ' LEU . 14.7 tp -74.58 -51.57 14.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -54.72 -57.48 11.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 7.5 pttp -47.86 -27.52 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.819 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.1 t60 -94.27 -28.26 15.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.14 -13.98 61.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 11.9 ptp180 -90.0 -9.09 49.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.819 HG23 ' O ' ' A' ' 29' ' ' HIS . 3.1 pt -70.88 -28.57 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.443 ' HB2' ' CD ' ' A' ' 15' ' ' GLU . 88.1 m-70 -86.1 -43.41 13.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 m -47.17 -37.7 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -38.94 155.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -82.07 18.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -80.53 121.71 81.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.574 0.702 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 97.92 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.367 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.9 m -65.93 -42.73 89.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -154.95 133.99 4.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.69 3.31 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 m -54.66 -65.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.2 p -64.44 -39.46 93.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.503 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -117.84 121.29 40.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -70.25 -45.4 66.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.17 -123.08 5.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -86.58 131.62 34.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -86.56 -51.69 6.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.65 -124.61 1.06 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -116.45 155.49 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 154.69 38.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 110.927 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 157.82 58.97 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.695 ' HB3' HD22 ' A' ' 26' ' ' LEU . 40.6 mt -94.02 111.85 23.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.786 ' HB ' HG22 ' A' ' 19' ' ' THR . 1.4 p -127.85 135.14 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' GLY . 49.3 t -64.3 119.27 9.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -74.22 -9.58 58.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -82.38 -43.61 17.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.89 -37.98 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' CYS . . . 101.94 41.77 2.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -107.11 119.88 40.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.786 HG22 ' HB ' ' A' ' 12' ' ' VAL . 79.4 p -80.31 152.14 29.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -139.51 156.45 46.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -86.91 -48.32 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -95.36 154.03 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 16.7 m -67.07 -34.76 78.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.3 t -69.02 -31.01 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.3 m -59.01 -50.26 74.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 11' ' ' LEU . 16.1 tp -67.87 -54.81 16.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -54.37 -58.31 7.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -57.34 -11.96 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.902 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.4 t60 -96.65 -36.52 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -56.39 -34.75 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.9 ptp180 -49.37 -22.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.902 HG23 ' O ' ' A' ' 29' ' ' HIS . 6.2 pt -68.27 -34.42 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -88.55 -52.54 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.5 p -55.61 -46.33 77.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.03 114.55 0.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.606 ' O ' ' CG ' ' A' ' 36' ' ' GLU . 6.0 tt0 -98.59 12.32 35.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.394 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -74.47 136.12 75.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.54 0.686 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 173.92 10.32 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 p -123.82 153.26 41.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.02 -119.86 2.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 0.78 5.18 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -74.91 113.68 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.1 p -161.02 158.95 28.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_