data_2en6_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 2en6 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.571 0.7 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.503 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.73 -3.74 12.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.382 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 53.7 m-85 -110.09 154.03 23.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.11 139.29 6.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 34.0 t -94.58 66.53 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' CYS . 17.5 t30 -34.51 -38.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' CYS . 44.5 mm-40 -40.8 -49.38 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -110.89 -36.31 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.6 27.07 3.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -100.36 174.66 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.1 p -133.2 152.35 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -139.32 154.12 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 t -71.0 -39.61 72.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.559 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.7 pt20 -136.71 153.6 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 16.8 ptmt -61.27 -51.27 69.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' LYS . 15.6 t -35.93 -35.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -82.71 -43.87 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 11.2 tp -62.54 -54.17 43.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 t -39.92 -54.77 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.21 83.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -61.93 -29.27 70.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -80.77 -23.87 39.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -55.84 -42.26 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.7 t -71.53 -30.75 66.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 23' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.52 0.676 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.73 -0.48 6.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.325 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 77.9 m-85 -112.14 132.35 54.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.992 0.425 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.13 133.84 7.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 10.0 t -73.95 95.85 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -56.14 -22.67 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -66.53 -65.11 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.44 -46.39 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 138.03 -32.36 2.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' GLY . 46.3 mttt -38.09 132.54 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.1 p -102.66 154.42 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -135.76 153.11 51.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 94.4 p -63.48 -44.0 95.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.565 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 2.9 pt20 -130.52 170.09 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 19.6 ttmm -74.92 -50.08 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' LYS . 47.3 t -36.42 -35.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -81.39 -54.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -51.8 -50.01 61.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -42.31 -53.67 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.62 -39.81 85.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -67.16 -19.68 65.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -83.21 -18.58 38.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -60.26 -32.25 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -90.8 22.06 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.594 0.711 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.5 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.81 -18.06 36.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.321 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.504 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 40.4 m-85 -90.17 142.34 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' CYS . . . -137.49 92.37 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' GLY . 45.6 t -35.93 121.13 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.346 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -91.99 39.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -133.85 -48.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.0 p -114.25 -39.58 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.94 26.29 3.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -96.57 154.05 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.523 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 47.5 p -116.73 163.4 16.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 21' ' ' THR . 28.0 m-85 -150.96 128.85 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -47.62 -47.52 28.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -121.88 161.63 22.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 81.8 tttt -71.42 -46.17 60.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' LYS . 82.3 p -36.27 -40.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.92 -56.66 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 tp -47.15 -50.46 20.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.961 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 t -42.73 -60.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.67 -34.49 62.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -71.65 -27.08 62.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -77.61 -22.57 50.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -52.28 -37.03 54.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.5 t -91.4 23.84 3.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.484 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 7.9 mtmp? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 121.578 0.704 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.74 -4.66 14.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.39 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 78.3 m-85 -111.87 153.65 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.71 131.96 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 14.7 t -72.02 88.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -51.01 -26.77 6.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -59.83 -64.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -94.61 -45.42 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.8 24.46 2.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -91.17 -179.62 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 p -141.18 155.16 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -146.16 135.91 23.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -54.3 -44.78 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -120.42 138.92 53.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 25.0 tptt -57.75 -41.68 82.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' LYS . 43.2 t -37.05 -38.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.9 mt -77.26 -55.16 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 tp -46.65 -52.1 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -39.33 -57.1 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.76 -46.99 85.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -58.01 -20.28 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -85.94 -31.0 22.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -48.33 -48.25 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.9 t -65.33 -19.19 65.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 58.1 mttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.596 0.712 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.75 2.13 3.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 16.9 m-85 -108.67 150.36 27.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.09 112.51 0.55 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.5 t -48.9 113.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -83.15 37.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -132.29 -44.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -113.46 -41.68 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.94 25.72 2.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -93.91 173.71 7.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.0 p -132.55 156.46 46.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.457 ' CE1' HD13 ' A' ' 28' ' ' LEU . 32.8 m-85 -145.17 143.78 30.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -58.92 -43.51 91.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 7.5 pt20 -130.09 160.77 32.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -70.47 -47.58 59.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' LYS . 38.7 m -36.54 -34.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.4 HG13 ' CG ' ' A' ' 24' ' ' GLN . 55.6 mt -83.91 -50.24 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.457 HD13 ' CE1' ' A' ' 22' ' ' PHE . 17.6 tp -53.47 -49.44 67.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -43.32 -53.84 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.69 80.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -67.69 -27.5 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -72.69 -37.32 67.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -47.22 -30.63 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -90.05 26.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.604 0.716 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.548 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.72 -5.95 17.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 25' ' ' LYS . 63.2 m-85 -116.05 119.22 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.81 130.96 8.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -60.45 127.03 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -84.36 -16.04 44.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -76.43 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.06 -48.07 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.4 -25.6 3.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -44.53 134.28 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.512 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 19.7 p -101.03 170.66 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' ' C ' ' A' ' 21' ' ' THR . 52.2 m-85 -153.22 131.22 11.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.8 p -45.8 -47.33 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -125.29 141.94 51.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 13' ' ' TYR . 8.5 pttm -58.88 -41.59 87.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' LYS . 7.5 t -36.93 -43.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -76.53 -42.9 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -53.16 -51.92 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.5 p -38.57 -49.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.71 85.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 62.4 t60 -58.21 -26.81 63.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -80.23 -28.31 38.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -49.18 -49.09 44.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 35' ' ' HIS . 15.2 t -64.55 -28.76 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' N ' HG21 ' A' ' 34' ' ' THR . 47.8 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 10.0 mptt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.579 0.704 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -12.31 32.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.376 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 54.7 m-85 -104.99 143.08 33.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.74 130.6 5.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 t -82.6 108.99 16.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.407 ' C ' ' CD ' ' A' ' 17' ' ' GLU . 2.9 t-20 -86.35 36.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.8 mp0 -125.45 -38.66 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -124.55 -37.8 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.6 25.99 3.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 42.0 mttp -96.85 174.43 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 32.0 p -137.21 160.85 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.487 ' CE1' HD11 ' A' ' 28' ' ' LEU . 24.7 m-85 -151.28 132.4 14.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -60.6 -39.41 88.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -123.32 148.44 45.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 25.7 ttpt -68.07 -42.42 80.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.7 t -38.48 -39.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.71 -47.41 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.487 HD11 ' CE1' ' A' ' 22' ' ' PHE . 38.2 tp -53.61 -54.72 33.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LEU . 4.4 t -37.25 -60.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.98 69.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.468 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 68.3 t60 -63.0 -32.84 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -77.84 -32.38 52.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -48.57 -39.63 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -73.99 -23.1 59.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 3.0 mtmp? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.518 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -12.15 32.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.518 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 23.1 m-85 -94.61 141.19 28.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.11 104.83 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.9 t -41.32 113.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -82.72 38.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' CG ' ' HB3' ' A' ' 35' ' ' HIS . 12.9 mm-40 -131.84 -41.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -123.41 -41.72 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.63 24.62 2.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -98.43 133.66 42.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 p -98.34 168.56 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -154.5 131.98 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -52.97 -43.94 66.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.42 ' CD ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -120.54 137.95 54.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 16.2 ttmt -58.41 -43.57 88.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' LYS . 48.7 p -36.01 -37.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.42 HD12 ' CD ' ' A' ' 24' ' ' GLN . 66.9 mt -79.34 -50.77 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 tp -50.7 -49.01 58.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -40.77 -62.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.33 80.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -54.79 -33.42 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -72.51 -30.39 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -49.37 -35.23 18.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.9 t -91.08 27.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.468 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 55.8 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mptt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.533 0.682 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.73 1.59 4.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 71.3 m-85 -110.78 121.29 44.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.94 135.39 10.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 19' ' ' GLY . 11.5 t -78.52 98.85 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -56.41 -27.92 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -60.63 -65.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -105.13 -45.14 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 136.8 -31.05 2.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -42.17 131.19 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.4 p -104.36 163.64 12.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -141.66 162.39 35.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.4 p -71.59 -42.72 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -129.76 164.34 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.51 -39.94 62.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.6 m -42.62 -36.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.0 mt -84.23 -58.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -45.45 -33.6 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 t -56.2 -55.47 32.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -31.51 70.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -70.7 -25.11 62.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -82.58 -19.12 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -60.52 -32.1 71.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.2 t -94.11 21.53 6.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 39.6 mttm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.557 0.694 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.471 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.8 -11.62 31.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 26.2 m-85 -95.07 137.7 33.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.99 112.13 1.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -50.33 109.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -81.08 42.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -133.99 -44.18 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -119.08 -38.86 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.14 25.19 2.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 34.5 mtpt -95.44 170.7 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.9 p -136.23 163.59 30.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CD2' HG23 ' A' ' 27' ' ' ILE . 45.5 m-85 -150.81 137.32 18.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.6 t -54.37 -44.95 72.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -119.48 145.57 46.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 9.5 ptpp? -63.18 -39.72 95.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 8.3 t -39.92 -50.25 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.41 HG23 ' CD2' ' A' ' 22' ' ' PHE . 63.5 mt -66.91 -48.42 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 tp -50.91 -47.07 60.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -44.17 -57.28 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.74 79.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 59.4 t60 -64.61 -28.26 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -76.54 -26.53 55.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -51.52 -39.98 58.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t -86.7 26.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.549 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.3 Cg_endo -69.7 -1.46 8.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 33.4 m-85 -110.38 131.08 55.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.93 127.93 3.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 37.9 t -78.75 67.88 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' CYS . 45.9 t30 -34.56 -36.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' CYS . 5.7 mm-40 -42.66 -51.48 5.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.52 -37.02 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 25.12 3.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -91.68 177.85 6.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 p -137.61 157.29 46.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -153.07 129.63 10.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 m -51.62 -44.51 62.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -122.82 157.29 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 19.0 ttmm -72.12 -44.42 63.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' LYS . 8.0 t -36.45 -38.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.1 mt -80.22 -50.41 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 28.5 tp -53.74 -54.3 40.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 t -41.93 -48.63 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' LEU . 45.2 t60 -75.54 -24.6 56.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -77.4 -19.93 55.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -55.25 -41.64 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -84.26 20.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 23' ' ' SER . 38.4 mmtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.533 0.683 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.8 -19.78 35.52 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 39.3 m-85 -91.64 143.03 26.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.73 119.45 1.56 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 t -60.98 119.49 8.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -78.6 -22.64 46.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.48 -61.31 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 p -100.45 -47.88 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.06 22.83 1.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -83.78 178.19 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 p -133.08 147.83 52.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.556 ' CE1' HD11 ' A' ' 28' ' ' LEU . 30.7 m-85 -137.35 151.97 49.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.442 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 14.0 t -66.0 -42.29 89.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.515 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.0 pt20 -136.03 175.37 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -74.77 -53.77 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.3 t -35.99 -37.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.437 ' CD1' ' HG2' ' A' ' 24' ' ' GLN . 45.9 mt -78.06 -56.15 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.556 HD11 ' CE1' ' A' ' 22' ' ' PHE . 19.4 tp -53.2 -54.63 33.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 t -40.41 -55.36 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.59 73.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' ' CG2' ' A' ' 34' ' ' THR . 46.9 t60 -60.31 -35.19 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.94 -25.65 68.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 -55.82 -25.94 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 11.0 t -95.91 23.56 6.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 37.3 mttm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.522 0.677 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.538 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 -11.46 30.91 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.394 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 34.9 m-85 -99.36 123.72 43.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.72 131.62 7.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -72.79 156.51 38.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -109.02 -28.09 9.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 8.5 mm-40 -61.99 -48.29 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.01 -46.93 3.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.96 26.77 3.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -99.2 136.62 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -97.41 156.22 16.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 81.4 m-85 -137.12 141.6 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.5 p -50.58 -49.22 56.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -124.13 151.1 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -65.19 -27.43 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 t -52.96 -38.81 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.4 mt -77.45 -42.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -58.4 -50.58 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -40.36 -59.5 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.04 74.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -69.35 -18.02 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -87.24 -17.56 32.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -68.47 -32.04 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.0 t -88.36 18.16 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' ND1' ' HB3' ' A' ' 17' ' ' GLU . 18.3 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 19.3 mmmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.531 0.681 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.546 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.79 -2.56 10.41 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 60.4 m-85 -113.25 128.29 56.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.48 133.74 6.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.5 114.29 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -85.05 40.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.41 -45.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -110.49 -42.88 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.14 25.7 2.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.514 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 6.6 mtpm? -100.64 167.36 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.483 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 24.8 p -123.09 164.06 19.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 21' ' ' THR . 15.1 m-85 -152.52 127.4 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.445 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 15.8 t -53.34 -42.93 67.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -123.9 153.7 40.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 22.2 ttpp -69.89 -45.14 68.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -38.83 -36.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.7 mt -80.3 -52.38 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' CD1' ' CE1' ' A' ' 22' ' ' PHE . 19.9 tp -54.03 -54.56 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' LEU . 39.5 t -37.81 -55.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.18 79.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 13.9 t60 -69.59 -20.5 63.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -87.9 -21.87 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -58.65 -36.83 74.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -71.75 -31.87 67.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 23' ' ' SER . 31.1 mttm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.481 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -0.68 7.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 15.2 m-85 -99.53 125.18 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.33 131.69 9.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.5 t -68.81 118.68 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -85.02 30.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' CG ' ' HB3' ' A' ' 35' ' ' HIS . 16.9 mm-40 -129.28 -37.73 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -132.53 -44.02 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 137.96 -34.68 2.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLY . 46.5 mttm -38.01 144.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.402 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 38.8 p -115.26 165.68 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.523 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 45.0 m-85 -148.72 138.17 21.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.436 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 47.1 t -53.49 -45.66 69.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -122.31 139.26 54.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 1.3 ttmp? -56.56 -43.88 80.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' LYS . 15.8 t -36.23 -39.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -78.5 -58.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.523 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 14.2 tp -45.22 -49.58 12.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 t -38.42 -59.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.54 79.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -53.28 -27.15 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -80.41 -32.05 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -44.67 -48.84 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 35' ' ' HIS . 12.0 t -66.06 -30.74 71.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' HG22 ' A' ' 34' ' ' THR . 41.0 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 23' ' ' SER . 16.7 mtmm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.598 0.713 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.53 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.73 -2.34 10.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.393 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 18.8 m-85 -111.16 152.53 26.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.43 101.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 t -44.23 107.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.828 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -81.41 41.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -132.61 -46.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.62 -38.8 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.2 26.22 3.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -102.87 130.35 49.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.7 p -97.28 167.35 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.509 ' CE1' HD13 ' A' ' 28' ' ' LEU . 71.1 m-85 -150.17 134.56 17.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.404 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 36.7 p -55.56 -43.5 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -127.93 145.28 51.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tppt? -56.96 -42.72 80.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' LYS . 26.9 t -36.1 -39.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.5 mt -77.85 -54.76 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD13 ' CE1' ' A' ' 22' ' ' PHE . 52.5 tp -47.81 -34.27 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -57.87 -52.45 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.15 -35.5 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -68.42 -51.1 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -46.7 -28.2 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -48.13 -39.27 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.5 t -86.56 27.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 23' ' ' SER . 2.2 mptp? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.569 0.7 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 0.0 6.25 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 57.5 m-85 -112.83 155.73 24.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.33 139.5 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 t -71.13 116.94 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -84.41 31.4 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -131.32 -38.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -129.77 -44.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 138.44 -36.46 1.9 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' GLY . 64.0 mttt -35.06 134.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.47 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 79.7 p -107.09 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CE1' HD11 ' A' ' 28' ' ' LEU . 51.6 m-85 -151.27 149.42 29.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 48.4 t -59.79 -45.28 92.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.417 ' CG ' HG13 ' A' ' 27' ' ' ILE . 16.9 pt20 -124.33 171.61 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 27.5 tttm -79.41 -50.15 11.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t -36.18 -35.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.417 HG13 ' CG ' ' A' ' 24' ' ' GLN . 54.9 mt -80.12 -55.45 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.544 HD11 ' CE1' ' A' ' 22' ' ' PHE . 19.3 tp -53.38 -53.7 47.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.8 t -35.64 -58.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.4 72.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -52.61 -28.25 20.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.65 -32.57 23.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -52.38 -34.13 46.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -80.93 -24.85 37.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 34.7 mttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.602 0.715 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 -15.79 37.14 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 33.7 m-85 -91.92 133.94 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.87 105.59 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.9 t -47.04 111.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -83.39 39.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -131.94 -47.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -112.86 -41.02 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.52 24.66 2.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -93.86 172.22 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -137.15 156.34 48.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 22.6 m-85 -149.08 134.61 18.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -60.35 -39.94 88.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -119.91 143.86 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 9.0 tppt? -65.07 -42.61 93.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 t -38.73 -35.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.1 mt -83.21 -51.59 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.501 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 15.1 tp -52.1 -52.71 49.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.0 t -37.12 -62.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.45 -45.82 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -60.53 -26.56 66.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -86.29 -28.88 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -51.57 -45.63 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 35' ' ' HIS . 14.1 t -69.07 -28.01 66.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.423 ' N ' HG21 ' A' ' 34' ' ' THR . 27.7 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.1 mptt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.77 -10.82 29.47 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 70.6 m-85 -105.98 122.39 46.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.58 116.86 3.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -65.08 110.15 2.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.439 ' C ' ' OE2' ' A' ' 17' ' ' GLU . 7.8 m-80 -85.42 35.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.8 mp0 -126.43 -35.58 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.7 p -128.18 -44.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.15 24.64 2.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -97.76 142.19 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 p -106.93 162.5 13.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 9.1 m-85 -151.75 127.84 10.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -50.77 -45.16 58.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.471 ' NE2' HD12 ' A' ' 27' ' ' ILE . 19.3 pm0 -125.04 147.95 48.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -57.24 -39.58 75.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -40.51 -42.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.471 HD12 ' NE2' ' A' ' 24' ' ' GLN . 58.9 mt -71.68 -55.99 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.51 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 26.8 tp -49.65 -54.99 15.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 m -39.51 -54.38 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.51 78.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 28' ' ' LEU . 56.6 t60 -65.75 -47.42 75.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' HIS . 21.2 mt-30 -47.15 -34.11 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -45.8 -32.11 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -87.84 25.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' GLN . 62.2 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.3 mtmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.463 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 1.61 4.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 65.2 m-85 -110.99 135.09 52.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.96 119.64 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' ASN . 18.1 t -77.96 66.32 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' CYS . 18.9 m120 -34.48 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.4 mp0 -42.78 -49.86 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.81 -36.66 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 26.99 4.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -102.37 146.27 28.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.3 p -107.06 153.67 22.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.473 ' CD1' HD13 ' A' ' 28' ' ' LEU . 72.0 m-85 -141.19 131.63 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 t -56.63 -41.67 77.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -123.62 150.4 44.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 16.7 ptmt -67.83 -43.84 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' LYS . 42.5 t -38.0 -46.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.9 mt -72.31 -43.64 64.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 22' ' ' PHE . 20.2 tp -57.28 -54.02 51.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.9 m -39.99 -57.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.4 84.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -58.62 -29.39 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -77.72 -30.24 51.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -44.99 -46.51 11.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -68.31 -26.03 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 p -63.07 -45.77 90.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m 40.43 42.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.44 118.73 1.54 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -85.29 90.15 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -127.51 112.8 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.29 -130.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.6 t -86.51 -40.68 15.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.58 42.67 1.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -100.26 -47.55 4.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.79 67.62 79.81 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.7 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.503 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.73 -3.74 12.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.382 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 53.7 m-85 -110.09 154.03 23.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.11 139.29 6.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 34.0 t -94.58 66.53 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' CYS . 17.5 t30 -34.51 -38.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' CYS . 44.5 mm-40 -40.8 -49.38 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -110.89 -36.31 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.6 27.07 3.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -100.36 174.66 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.1 p -133.2 152.35 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -139.32 154.12 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 t -71.0 -39.61 72.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.559 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.7 pt20 -136.71 153.6 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 16.8 ptmt -61.27 -51.27 69.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' LYS . 15.6 t -35.93 -35.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -82.71 -43.87 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 11.2 tp -62.54 -54.17 43.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 t -39.92 -54.77 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.21 83.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -61.93 -29.27 70.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -80.77 -23.87 39.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -55.84 -42.26 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.7 t -71.53 -30.75 66.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -60.37 -42.05 94.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -39.67 146.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.75 54.73 17.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -75.15 106.47 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -83.56 144.17 45.42 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 97.09 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.396 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.0 p -70.31 -45.59 65.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.88 -94.91 1.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 108.49 2.1 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -64.2 94.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.0 p -161.02 150.12 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.506 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m 47.78 42.74 16.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 t -121.95 153.61 38.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.65 159.15 23.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -76.78 111.69 12.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -101.45 46.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.19 131.93 10.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 m -149.25 157.03 43.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.924 0.392 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.98 -30.54 9.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.95 -44.07 97.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 23' ' ' SER . 0.7 OUTLIER -129.38 77.39 77.5 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.52 0.676 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.73 -0.48 6.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.325 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 77.9 m-85 -112.14 132.35 54.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.992 0.425 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.13 133.84 7.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 10.0 t -73.95 95.85 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -56.14 -22.67 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -66.53 -65.11 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.44 -46.39 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 138.03 -32.36 2.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' GLY . 46.3 mttt -38.09 132.54 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.1 p -102.66 154.42 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -135.76 153.11 51.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 94.4 p -63.48 -44.0 95.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.565 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 2.9 pt20 -130.52 170.09 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 19.6 ttmm -74.92 -50.08 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' LYS . 47.3 t -36.42 -35.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -81.39 -54.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -51.8 -50.01 61.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -42.31 -53.67 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.62 -39.81 85.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -67.16 -19.68 65.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -83.21 -18.58 38.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -60.26 -32.25 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -90.8 22.06 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -121.49 -50.82 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.6 t -88.25 37.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.59 -37.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' LYS . 8.0 tt0 -46.1 169.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.378 . . . . 0.0 110.918 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' GLU . 8.6 mptt -37.75 143.99 0.36 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.569 0.7 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 134.14 27.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.5 m -95.84 -55.65 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.91 -95.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 164.93 32.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -160.84 151.02 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.3 t -156.39 153.37 28.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.486 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 p -95.3 42.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.831 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m 55.82 42.22 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.8 61.57 0.37 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -116.75 121.77 42.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -46.36 -62.62 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 96.28 -34.67 4.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.5 m -34.94 -44.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.26 129.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -121.68 81.47 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.376 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER 62.32 53.93 2.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.5 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.81 -18.06 36.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.321 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.504 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 40.4 m-85 -90.17 142.34 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' CYS . . . -137.49 92.37 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' GLY . 45.6 t -35.93 121.13 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.346 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -91.99 39.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -133.85 -48.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.0 p -114.25 -39.58 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.94 26.29 3.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -96.57 154.05 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.523 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 47.5 p -116.73 163.4 16.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 21' ' ' THR . 28.0 m-85 -150.96 128.85 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -47.62 -47.52 28.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -121.88 161.63 22.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 81.8 tttt -71.42 -46.17 60.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' LYS . 82.3 p -36.27 -40.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.92 -56.66 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 tp -47.15 -50.46 20.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.961 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 t -42.73 -60.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.67 -34.49 62.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -71.65 -27.08 62.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -77.61 -22.57 50.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -52.28 -37.03 54.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.5 t -91.4 23.84 3.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -125.48 43.44 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLY . 16.9 p -124.48 -32.37 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' THR . . . 36.88 -139.72 0.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.528 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -158.22 143.96 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.411 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -92.34 146.28 32.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.76 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.299 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -172.47 171.92 4.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.79 150.87 34.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 172.21 13.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -106.21 102.82 12.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.9 t -93.56 -61.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.535 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m 59.88 42.3 16.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -143.42 136.01 27.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.22 -88.38 1.61 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -162.12 177.08 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m -57.34 104.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.33 -51.23 0.82 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -53.92 100.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.373 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.41 166.09 32.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -97.56 122.52 40.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.484 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 7.9 mtmp? 41.48 51.52 5.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.578 0.704 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.74 -4.66 14.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.39 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 78.3 m-85 -111.87 153.65 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.71 131.96 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 14.7 t -72.02 88.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -51.01 -26.77 6.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -59.83 -64.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -94.61 -45.42 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.8 24.46 2.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -91.17 -179.62 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 p -141.18 155.16 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -146.16 135.91 23.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -54.3 -44.78 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -120.42 138.92 53.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 25.0 tptt -57.75 -41.68 82.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' LYS . 43.2 t -37.05 -38.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.9 mt -77.26 -55.16 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.5 tp -46.65 -52.1 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -39.33 -57.1 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.76 -46.99 85.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -58.01 -20.28 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -85.94 -31.0 22.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -48.33 -48.25 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.9 t -65.33 -19.19 65.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -87.55 50.73 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.9 p -130.78 -42.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.38 47.74 1.58 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -126.77 173.11 9.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.4 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 7.6 mptt -119.09 143.89 34.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 101.99 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.6 m -97.17 94.39 7.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.24 83.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.16 50.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.339 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t -106.28 43.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 t -145.37 140.22 27.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.539 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -77.36 165.88 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 t -171.23 143.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.58 -111.75 0.89 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -126.18 147.38 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -100.72 111.92 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.82 72.39 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -96.93 139.93 32.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.69 -36.72 4.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -77.5 139.94 39.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 58.1 mttt 49.02 54.69 16.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.75 2.13 3.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 16.9 m-85 -108.67 150.36 27.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.09 112.51 0.55 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.5 t -48.9 113.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -83.15 37.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -132.29 -44.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -113.46 -41.68 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.94 25.72 2.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -93.91 173.71 7.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.0 p -132.55 156.46 46.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.457 ' CE1' HD13 ' A' ' 28' ' ' LEU . 32.8 m-85 -145.17 143.78 30.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -58.92 -43.51 91.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 7.5 pt20 -130.09 160.77 32.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -70.47 -47.58 59.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' LYS . 38.7 m -36.54 -34.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.4 HG13 ' CG ' ' A' ' 24' ' ' GLN . 55.6 mt -83.91 -50.24 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.457 HD13 ' CE1' ' A' ' 22' ' ' PHE . 17.6 tp -53.47 -49.44 67.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -43.32 -53.84 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.69 80.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -67.69 -27.5 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -72.69 -37.32 67.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -47.22 -30.63 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -90.05 26.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -132.78 -43.73 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.6 p -54.79 101.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.03 -41.27 1.98 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.3 92.7 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.409 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' CD ' ' HB3' ' A' ' 41' ' ' SER . 3.6 ptpt -154.23 156.21 31.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.693 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 2.89 3.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' PRO . 60.4 p -36.33 134.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.26 146.26 3.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.81 20.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.4 m -41.22 -54.86 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t 50.06 42.16 24.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.516 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -171.98 112.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 m -134.97 173.19 12.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.71 64.87 0.35 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -98.27 45.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -79.05 46.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.06 154.65 16.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -102.53 171.01 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' HD3' ' A' ' 12' ' ' PRO . . . 60.47 -137.71 48.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 72.65 47.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER 61.83 53.5 2.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 110.95 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.548 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.72 -5.95 17.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 25' ' ' LYS . 63.2 m-85 -116.05 119.22 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.81 130.96 8.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -60.45 127.03 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -84.36 -16.04 44.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -76.43 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.06 -48.07 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.4 -25.6 3.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -44.53 134.28 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.512 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 19.7 p -101.03 170.66 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' ' C ' ' A' ' 21' ' ' THR . 52.2 m-85 -153.22 131.22 11.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.8 p -45.8 -47.33 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -125.29 141.94 51.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 13' ' ' TYR . 8.5 pttm -58.88 -41.59 87.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' LYS . 7.5 t -36.93 -43.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -76.53 -42.9 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -53.16 -51.92 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.5 p -38.57 -49.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.71 85.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 62.4 t60 -58.21 -26.81 63.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -80.23 -28.31 38.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -49.18 -49.09 44.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 35' ' ' HIS . 15.2 t -64.55 -28.76 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' N ' HG21 ' A' ' 34' ' ' THR . 47.8 m-70 -71.31 76.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.8 p -155.2 173.43 16.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.65 114.45 3.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 39.85 42.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.923 0.392 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.71 152.35 9.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.592 0.71 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.1 Cg_endo -69.76 136.42 32.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' PRO . 94.4 p -37.01 155.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.17 83.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 105.42 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 m -139.15 174.16 10.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.5 p -173.98 148.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.524 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -43.13 -57.46 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 46.1 42.16 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.27 -168.41 12.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m 57.8 42.3 23.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -132.75 168.93 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.11 45.59 11.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.458 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -86.72 -44.0 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.883 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.08 47.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -116.1 82.26 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 10.0 mptt 62.15 52.59 2.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -12.31 32.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.376 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 54.7 m-85 -104.99 143.08 33.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.74 130.6 5.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 t -82.6 108.99 16.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.407 ' C ' ' CD ' ' A' ' 17' ' ' GLU . 2.9 t-20 -86.35 36.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.8 mp0 -125.45 -38.66 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -124.55 -37.8 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.6 25.99 3.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 42.0 mttp -96.85 174.43 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 32.0 p -137.21 160.85 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.487 ' CE1' HD11 ' A' ' 28' ' ' LEU . 24.7 m-85 -151.28 132.4 14.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -60.6 -39.41 88.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -123.32 148.44 45.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 25.7 ttpt -68.07 -42.42 80.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.7 t -38.48 -39.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.71 -47.41 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.487 HD11 ' CE1' ' A' ' 22' ' ' PHE . 38.2 tp -53.61 -54.72 33.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LEU . 4.4 t -37.25 -60.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.98 69.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.468 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 68.3 t60 -63.0 -32.84 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -77.84 -32.38 52.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -48.57 -39.63 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -73.99 -23.1 59.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -76.03 -40.84 52.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -96.66 39.1 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.25 102.64 1.08 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -81.6 147.55 29.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -82.92 143.97 47.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.539 0.685 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -48.25 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -47.43 165.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.69 -159.1 6.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -27.13 27.07 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.738 2.292 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.6 p -174.49 122.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.5 m -131.05 131.84 44.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.444 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -48.35 111.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -157.29 135.14 10.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.31 61.33 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 p -151.06 111.83 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.901 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -95.01 113.23 24.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -147.7 -42.62 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 7' ' ' GLY . 12.9 t 36.54 42.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.09 53.78 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -113.5 82.37 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.403 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 3.0 mtmp? 47.63 54.13 15.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.518 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -12.15 32.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.518 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 23.1 m-85 -94.61 141.19 28.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.11 104.83 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.9 t -41.32 113.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -82.72 38.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' CG ' ' HB3' ' A' ' 35' ' ' HIS . 12.9 mm-40 -131.84 -41.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -123.41 -41.72 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.63 24.62 2.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -98.43 133.66 42.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 p -98.34 168.56 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -154.5 131.98 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -52.97 -43.94 66.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.42 ' CD ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -120.54 137.95 54.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 16.2 ttmt -58.41 -43.57 88.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' LYS . 48.7 p -36.01 -37.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.42 HD12 ' CD ' ' A' ' 24' ' ' GLN . 66.9 mt -79.34 -50.77 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 tp -50.7 -49.01 58.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -40.77 -62.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.33 80.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -54.79 -33.42 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -72.51 -30.39 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -49.37 -35.23 18.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.9 t -91.08 27.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.468 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 55.8 m-70 -131.29 41.58 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.2 p -131.63 119.57 21.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.87 43.85 4.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -124.41 76.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -174.96 144.75 0.85 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.539 0.685 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 92.18 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.1 t -57.03 112.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.2 -175.39 24.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 143.96 52.38 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 t -101.37 110.68 22.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -67.84 149.08 50.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.435 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m -83.8 159.21 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 p -68.88 85.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.811 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.48 169.56 54.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -83.03 -45.88 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -108.77 162.6 14.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.803 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.09 -62.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.442 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -134.74 154.5 51.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.78 70.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -54.79 -56.09 23.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -132.25 80.89 62.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.73 1.59 4.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 71.3 m-85 -110.78 121.29 44.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.94 135.39 10.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 19' ' ' GLY . 11.5 t -78.52 98.85 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -56.41 -27.92 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -60.63 -65.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -105.13 -45.14 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 136.8 -31.05 2.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -42.17 131.19 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.4 p -104.36 163.64 12.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -141.66 162.39 35.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.4 p -71.59 -42.72 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -129.76 164.34 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.51 -39.94 62.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.6 m -42.62 -36.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.0 mt -84.23 -58.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -45.45 -33.6 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 t -56.2 -55.47 32.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -31.51 70.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -70.7 -25.11 62.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -82.58 -19.12 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -60.52 -32.1 71.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.2 t -94.11 21.53 6.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -116.27 -51.26 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -105.15 157.02 17.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.46 -39.76 1.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -166.55 123.72 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -38.74 144.71 0.39 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 104.6 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 t -43.42 112.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.18 146.28 4.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 140.82 43.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.9 t -105.88 78.2 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.4 t -155.2 136.57 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 m -141.93 176.74 8.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -168.63 144.98 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.1 141.91 12.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -65.08 160.92 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -160.53 149.5 16.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.52 71.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -147.5 142.58 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.931 0.396 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' HD3' ' A' ' 12' ' ' PRO . . . -67.39 -115.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 73.23 45.24 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 39.6 mttm 62.39 53.94 2.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.557 0.694 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.471 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.8 -11.62 31.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 26.2 m-85 -95.07 137.7 33.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.99 112.13 1.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -50.33 109.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -81.08 42.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -133.99 -44.18 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -119.08 -38.86 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.14 25.19 2.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 34.5 mtpt -95.44 170.7 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.9 p -136.23 163.59 30.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CD2' HG23 ' A' ' 27' ' ' ILE . 45.5 m-85 -150.81 137.32 18.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.6 t -54.37 -44.95 72.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -119.48 145.57 46.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 9.5 ptpp? -63.18 -39.72 95.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 8.3 t -39.92 -50.25 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.41 HG23 ' CD2' ' A' ' 22' ' ' PHE . 63.5 mt -66.91 -48.42 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 tp -50.91 -47.07 60.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -44.17 -57.28 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.74 79.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 59.4 t60 -64.61 -28.26 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -76.54 -26.53 55.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -51.52 -39.98 58.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t -86.7 26.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' THR . 50.9 m-70 -129.41 -57.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' HIS . 9.9 t -34.17 128.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.67 111.42 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 71.61 42.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 12.2 tttp -91.63 143.32 27.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.76 -175.98 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 t -100.56 123.41 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.28 146.46 18.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.3 p -52.14 147.42 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.1 p -124.53 162.66 23.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.469 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 t -82.17 -45.21 15.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -45.78 139.34 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 -47.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -121.56 133.91 55.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -58.82 112.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.7 48.48 3.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -95.65 78.91 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.822 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.19 -54.92 0.37 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -65.55 -57.81 7.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -125.0 67.28 53.0 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.549 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.3 Cg_endo -69.7 -1.46 8.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 33.4 m-85 -110.38 131.08 55.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.93 127.93 3.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 37.9 t -78.75 67.88 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' CYS . 45.9 t30 -34.56 -36.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' CYS . 5.7 mm-40 -42.66 -51.48 5.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.52 -37.02 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 25.12 3.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -91.68 177.85 6.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 p -137.61 157.29 46.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -153.07 129.63 10.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 m -51.62 -44.51 62.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -122.82 157.29 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 19.0 ttmm -72.12 -44.42 63.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' LYS . 8.0 t -36.45 -38.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.1 mt -80.22 -50.41 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 28.5 tp -53.74 -54.3 40.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 t -41.93 -48.63 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' LEU . 45.2 t60 -75.54 -24.6 56.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -77.4 -19.93 55.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -55.25 -41.64 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -84.26 20.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -122.25 42.83 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.2 p -114.87 -47.89 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.89 146.17 4.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -120.96 108.54 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -59.15 143.77 84.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' GLY . 53.7 Cg_endo -69.73 1.06 4.76 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -40.34 92.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' PRO . . . -120.65 -94.99 1.44 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 142.13 47.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.732 2.288 . . . . 0.0 112.353 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -154.56 152.81 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -83.16 43.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.531 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -73.76 84.15 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.857 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -126.61 168.86 13.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.0 47.67 2.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -48.71 -44.74 38.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.818 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -105.45 169.57 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.91 -100.68 2.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.2 p -154.62 151.26 28.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 104.49 2.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -86.83 93.07 9.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 23' ' ' SER . 38.4 mmtm 62.25 54.56 2.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.533 0.683 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.8 -19.78 35.52 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 39.3 m-85 -91.64 143.03 26.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.73 119.45 1.56 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 t -60.98 119.49 8.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -78.6 -22.64 46.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.48 -61.31 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 p -100.45 -47.88 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.06 22.83 1.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -83.78 178.19 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 p -133.08 147.83 52.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.556 ' CE1' HD11 ' A' ' 28' ' ' LEU . 30.7 m-85 -137.35 151.97 49.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.442 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 14.0 t -66.0 -42.29 89.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.515 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.0 pt20 -136.03 175.37 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -74.77 -53.77 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.3 t -35.99 -37.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.437 ' CD1' ' HG2' ' A' ' 24' ' ' GLN . 45.9 mt -78.06 -56.15 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.556 HD11 ' CE1' ' A' ' 22' ' ' PHE . 19.4 tp -53.2 -54.63 33.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 t -40.41 -55.36 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.59 73.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' ' CG2' ' A' ' 34' ' ' THR . 46.9 t60 -60.31 -35.19 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.94 -25.65 68.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 -55.82 -25.94 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 11.0 t -95.91 23.56 6.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -121.83 42.57 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 t -159.62 128.83 5.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.6 -46.64 4.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -57.16 110.43 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.934 0.397 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -130.97 143.87 51.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -27.13 27.29 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.361 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 t -70.61 137.23 49.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.12 66.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -23.75 30.43 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.731 2.287 . . . . 0.0 112.377 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 p -147.73 161.21 41.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.2 p -112.33 42.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.438 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -114.66 42.22 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 p -162.77 132.13 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.84 -108.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -65.12 90.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.0 p -172.46 172.2 4.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.43 131.57 1.54 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -102.95 -47.35 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.78 108.71 2.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -126.76 88.22 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 37.3 mttm 53.18 52.96 11.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.522 0.677 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.538 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 -11.46 30.91 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.394 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 34.9 m-85 -99.36 123.72 43.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.72 131.62 7.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -72.79 156.51 38.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -109.02 -28.09 9.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 8.5 mm-40 -61.99 -48.29 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.01 -46.93 3.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.96 26.77 3.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -99.2 136.62 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -97.41 156.22 16.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 81.4 m-85 -137.12 141.6 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.5 p -50.58 -49.22 56.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -124.13 151.1 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -65.19 -27.43 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 t -52.96 -38.81 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.4 mt -77.45 -42.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -58.4 -50.58 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -40.36 -59.5 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.04 74.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -69.35 -18.02 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -87.24 -17.56 32.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -68.47 -32.04 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.0 t -88.36 18.16 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' ND1' ' HB3' ' A' ' 17' ' ' GLU . 18.3 m-70 -111.94 80.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.0 p -133.46 101.54 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.98 47.61 5.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -135.8 105.67 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.76 152.0 68.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 123.5 10.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -63.44 92.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.93 -169.92 46.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 2.73 3.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.313 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -50.94 103.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -72.6 150.89 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.521 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -166.77 109.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.9 p -134.35 159.04 42.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.61 102.03 0.82 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.8 m -46.03 155.08 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -96.72 -61.36 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.61 -58.41 0.7 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.8 p -83.6 43.04 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.942 0.401 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.83 115.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.535 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -107.98 103.92 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 19.3 mmmt 39.08 52.03 3.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.531 0.681 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.546 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.79 -2.56 10.41 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 60.4 m-85 -113.25 128.29 56.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.48 133.74 6.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.5 114.29 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -85.05 40.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.41 -45.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -110.49 -42.88 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.14 25.7 2.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.514 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 6.6 mtpm? -100.64 167.36 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.483 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 24.8 p -123.09 164.06 19.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 21' ' ' THR . 15.1 m-85 -152.52 127.4 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.445 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 15.8 t -53.34 -42.93 67.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -123.9 153.7 40.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 22.2 ttpp -69.89 -45.14 68.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -38.83 -36.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.7 mt -80.3 -52.38 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' CD1' ' CE1' ' A' ' 22' ' ' PHE . 19.9 tp -54.03 -54.56 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' LEU . 39.5 t -37.81 -55.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.18 79.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 13.9 t60 -69.59 -20.5 63.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -87.9 -21.87 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -58.65 -36.83 74.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -71.75 -31.87 67.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -63.64 -39.38 94.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -86.9 84.48 7.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.26 -157.45 33.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -122.83 11.01 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 10.8 ttmm -149.11 140.73 14.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.82 84.61 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.5 p -122.21 144.26 49.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.31 -178.26 26.01 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.65 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 t -78.8 110.51 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -168.75 159.09 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.553 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -100.66 167.87 10.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 m -77.65 126.17 30.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.72 48.79 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m 55.77 42.4 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -57.7 117.81 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.64 43.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.4 m -57.91 -56.81 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.76 40.78 2.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -66.22 -38.46 88.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.905 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 31.1 mttm -131.89 75.13 76.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.481 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -0.68 7.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 15.2 m-85 -99.53 125.18 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.33 131.69 9.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.5 t -68.81 118.68 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -85.02 30.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' CG ' ' HB3' ' A' ' 35' ' ' HIS . 16.9 mm-40 -129.28 -37.73 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -132.53 -44.02 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 137.96 -34.68 2.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLY . 46.5 mttm -38.01 144.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.402 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 38.8 p -115.26 165.68 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.523 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 45.0 m-85 -148.72 138.17 21.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.436 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 47.1 t -53.49 -45.66 69.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -122.31 139.26 54.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 1.3 ttmp? -56.56 -43.88 80.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' LYS . 15.8 t -36.23 -39.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -78.5 -58.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.523 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 14.2 tp -45.22 -49.58 12.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 t -38.42 -59.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.54 79.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -53.28 -27.15 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -80.41 -32.05 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -44.67 -48.84 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 35' ' ' HIS . 12.0 t -66.06 -30.74 71.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' HG22 ' A' ' 34' ' ' THR . 41.0 m-70 -69.17 -50.92 43.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.7 t -77.78 127.6 32.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.42 62.06 2.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -115.06 87.21 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -145.89 143.95 20.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 102.92 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.36 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.8 m -122.65 -53.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.88 -167.91 34.15 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 95.96 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.4 p -134.07 93.98 3.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 m -49.93 127.88 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.487 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.1 p -72.94 157.42 37.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -151.84 126.08 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.66 170.87 39.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -83.13 82.11 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m -112.1 140.25 46.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.66 135.92 3.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -151.15 126.33 9.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.96 -26.87 6.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -56.02 -65.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 23' ' ' SER . 16.7 mtmm -110.19 79.57 1.63 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.53 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.73 -2.34 10.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.393 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 18.8 m-85 -111.16 152.53 26.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.43 101.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 t -44.23 107.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.828 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -81.41 41.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -132.61 -46.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.62 -38.8 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.2 26.22 3.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -102.87 130.35 49.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.7 p -97.28 167.35 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.509 ' CE1' HD13 ' A' ' 28' ' ' LEU . 71.1 m-85 -150.17 134.56 17.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.404 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 36.7 p -55.56 -43.5 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -127.93 145.28 51.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tppt? -56.96 -42.72 80.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' LYS . 26.9 t -36.1 -39.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.5 mt -77.85 -54.76 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD13 ' CE1' ' A' ' 22' ' ' PHE . 52.5 tp -47.81 -34.27 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -57.87 -52.45 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.15 -35.5 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -68.42 -51.1 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -46.7 -28.2 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -48.13 -39.27 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.5 t -86.56 27.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -133.62 -52.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.4 t -87.28 162.55 17.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.9 -123.49 6.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.87 84.36 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.1 ttpp -146.23 139.62 14.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.71 . . . . 0.0 110.858 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.73 117.8 5.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.3 p -142.14 150.96 41.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.35 146.34 22.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 91.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.308 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.4 m -105.62 148.56 27.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 m -78.09 -52.45 8.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.486 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -128.95 138.1 51.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 p -74.98 177.82 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -169.84 -40.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' GLY . 54.2 p -37.4 149.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.957 0.408 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -80.47 -61.05 2.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.8 162.07 28.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -65.29 111.07 2.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.83 -31.44 80.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.69 -49.6 75.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.933 0.396 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 23' ' ' SER . 2.2 mptp? -129.18 80.48 72.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 0.0 6.25 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 57.5 m-85 -112.83 155.73 24.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.33 139.5 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 t -71.13 116.94 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -84.41 31.4 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -131.32 -38.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -129.77 -44.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 138.44 -36.46 1.9 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' GLY . 64.0 mttt -35.06 134.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.47 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 79.7 p -107.09 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CE1' HD11 ' A' ' 28' ' ' LEU . 51.6 m-85 -151.27 149.42 29.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 48.4 t -59.79 -45.28 92.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' CG ' HG13 ' A' ' 27' ' ' ILE . 16.9 pt20 -124.33 171.61 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 27.5 tttm -79.41 -50.15 11.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t -36.18 -35.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.417 HG13 ' CG ' ' A' ' 24' ' ' GLN . 54.9 mt -80.12 -55.45 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.544 HD11 ' CE1' ' A' ' 22' ' ' PHE . 19.3 tp -53.38 -53.7 47.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.8 t -35.64 -58.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.4 72.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -52.61 -28.25 20.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.65 -32.57 23.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -52.38 -34.13 46.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -80.93 -24.85 37.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -68.07 -42.59 80.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -87.41 -39.33 15.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.17 -158.8 2.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -129.67 81.58 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 51.7 tttp -116.58 139.4 25.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.555 0.693 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 42' ' ' GLY . 53.9 Cg_endo -69.78 0.56 5.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.36 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.0 p -56.79 81.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 40' ' ' PRO . . . 107.52 83.31 1.56 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.501 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 0.91 4.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.26 . . . . 0.0 112.387 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.2 p -50.87 138.49 18.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 t -129.83 151.77 50.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.487 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 p -93.35 165.35 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -127.65 120.8 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.39 85.01 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 m -99.59 83.72 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 p -148.3 146.83 28.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.62 42.12 2.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.8 p -112.33 131.69 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.33 105.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 11' ' ' LYS . 11.7 pt-20 -130.88 110.28 11.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 34.7 mttp 35.51 54.71 2.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 -15.79 37.14 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 33.7 m-85 -91.92 133.94 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.87 105.59 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.9 t -47.04 111.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -83.39 39.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -131.94 -47.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -112.86 -41.02 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.52 24.66 2.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -93.86 172.22 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -137.15 156.34 48.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 22.6 m-85 -149.08 134.61 18.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -60.35 -39.94 88.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -119.91 143.86 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 9.0 tppt? -65.07 -42.61 93.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 t -38.73 -35.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.1 mt -83.21 -51.59 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.501 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 15.1 tp -52.1 -52.71 49.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.0 t -37.12 -62.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.45 -45.82 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -60.53 -26.56 66.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -86.29 -28.88 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -51.57 -45.63 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 35' ' ' HIS . 14.1 t -69.07 -28.01 66.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' N ' HG21 ' A' ' 34' ' ' THR . 27.7 m-70 -70.58 -61.99 1.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -53.4 146.74 11.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.32 120.3 6.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.447 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -109.9 37.98 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 65.0 tttt -162.36 139.39 6.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.553 0.692 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.75 -50.01 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.5 m -82.03 135.01 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.19 83.33 0.32 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 115.16 3.96 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.374 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -132.18 141.99 49.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.4 m -117.67 108.29 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.486 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -55.07 156.93 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 t -102.97 98.26 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.63 -87.33 1.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.7 p -114.04 41.27 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -89.86 87.73 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.31 58.2 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.6 m -129.92 39.76 3.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.84 145.37 10.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.481 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -90.18 91.51 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.398 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.1 mptt 62.07 54.9 2.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.77 -10.82 29.47 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 70.6 m-85 -105.98 122.39 46.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.58 116.86 3.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -65.08 110.15 2.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' C ' ' OE2' ' A' ' 17' ' ' GLU . 7.8 m-80 -85.42 35.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.8 mp0 -126.43 -35.58 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.7 p -128.18 -44.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.15 24.64 2.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -97.76 142.19 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 p -106.93 162.5 13.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 9.1 m-85 -151.75 127.84 10.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -50.77 -45.16 58.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.471 ' NE2' HD12 ' A' ' 27' ' ' ILE . 19.3 pm0 -125.04 147.95 48.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -57.24 -39.58 75.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -40.51 -42.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.471 HD12 ' NE2' ' A' ' 24' ' ' GLN . 58.9 mt -71.68 -55.99 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.51 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 26.8 tp -49.65 -54.99 15.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 m -39.51 -54.38 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.51 78.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 28' ' ' LEU . 56.6 t60 -65.75 -47.42 75.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' HIS . 21.2 mt-30 -47.15 -34.11 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -45.8 -32.11 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -87.84 25.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' GLN . 62.2 m-70 -133.26 -43.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.5 p -80.8 139.69 35.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.03 43.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -94.81 110.36 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 15.7 ttmm -130.2 139.33 35.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.708 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.73 164.21 35.35 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.646 2.23 . . . . 0.0 112.341 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 t -39.64 132.61 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.64 -160.43 29.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.7 36.06 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -101.62 104.27 15.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -67.56 118.76 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.506 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 m -99.21 83.66 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -54.9 107.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.68 173.04 19.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 p -147.46 175.5 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 p -118.2 172.12 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.87 -43.82 1.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -59.78 162.19 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.38 63.34 0.35 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -88.54 49.64 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.3 mtmm 63.69 54.97 1.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.463 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 1.61 4.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 65.2 m-85 -110.99 135.09 52.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.96 119.64 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' ASN . 18.1 t -77.96 66.32 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' CYS . 18.9 m120 -34.48 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.4 mp0 -42.78 -49.86 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.81 -36.66 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 26.99 4.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -102.37 146.27 28.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.3 p -107.06 153.67 22.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.473 ' CD1' HD13 ' A' ' 28' ' ' LEU . 72.0 m-85 -141.19 131.63 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 t -56.63 -41.67 77.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -123.62 150.4 44.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 16.7 ptmt -67.83 -43.84 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' LYS . 42.5 t -38.0 -46.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.9 mt -72.31 -43.64 64.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 22' ' ' PHE . 20.2 tp -57.28 -54.02 51.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.9 m -39.99 -57.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.4 84.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -58.62 -29.39 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -77.72 -30.24 51.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -44.99 -46.51 11.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -68.31 -26.03 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -76.11 75.17 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.6 p -137.8 142.85 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.92 -61.64 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -104.18 -1.63 26.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -109.94 81.02 1.91 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.701 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 178.68 4.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -118.86 -51.58 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.63 -74.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 106.61 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.9 t -39.94 109.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.7 m -131.57 121.28 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.495 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.571 0.7 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.73 -3.74 12.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.382 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 53.7 m-85 -110.09 154.03 23.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.11 139.29 6.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 34.0 t -94.58 66.53 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' CYS . 17.5 t30 -34.51 -38.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' CYS . 44.5 mm-40 -40.8 -49.38 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -110.89 -36.31 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.6 27.07 3.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -100.36 174.66 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.1 p -133.2 152.35 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -139.32 154.12 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 t -71.0 -39.61 72.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.571 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.7 pt20 -136.71 153.6 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 16.8 ptmt -61.27 -51.27 69.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' LYS . 15.6 t -35.93 -35.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -82.71 -43.87 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 11.2 tp -62.54 -54.17 43.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 t -39.92 -54.77 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.21 83.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.505 ' O ' HG22 ' A' ' 34' ' ' THR . 23.4 t60 -61.93 -29.27 70.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -80.77 -23.87 39.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -55.84 -42.26 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 31' ' ' HIS . 13.7 t -71.53 -30.75 66.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 23' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.52 0.676 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.73 -0.48 6.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.325 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 77.9 m-85 -112.14 132.35 54.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.992 0.425 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.13 133.84 7.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 10.0 t -73.95 95.85 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -56.14 -22.67 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -66.53 -65.11 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.44 -46.39 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 138.03 -32.36 2.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' GLY . 46.3 mttt -38.09 132.54 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.1 p -102.66 154.42 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -135.76 153.11 51.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 94.4 p -63.48 -44.0 95.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.577 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 2.9 pt20 -130.52 170.09 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 19.6 ttmm -74.92 -50.08 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' LYS . 47.3 t -36.42 -35.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -81.39 -54.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -51.8 -50.01 61.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -42.31 -53.67 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.62 -39.81 85.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -67.16 -19.68 65.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -83.21 -18.58 38.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -60.26 -32.25 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -90.8 22.06 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.594 0.711 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.81 -18.06 36.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.321 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.7 ' HB3' HD22 ' A' ' 28' ' ' LEU . 40.4 m-85 -90.17 142.34 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' CYS . . . -137.49 92.37 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' GLY . 45.6 t -35.93 121.13 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.346 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -91.99 39.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -133.85 -48.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.0 p -114.25 -39.58 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.94 26.29 3.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -96.57 154.05 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.523 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 47.5 p -116.73 163.4 16.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 21' ' ' THR . 28.0 m-85 -150.96 128.85 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -47.62 -47.52 28.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -121.88 161.63 22.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 81.8 tttt -71.42 -46.17 60.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' LYS . 82.3 p -36.27 -40.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.92 -56.66 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 13' ' ' TYR . 17.7 tp -47.15 -50.46 20.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.961 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 t -42.73 -60.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.67 -34.49 62.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -71.65 -27.08 62.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -77.61 -22.57 50.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -52.28 -37.03 54.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.5 t -91.4 23.84 3.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.484 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 7.9 mtmp? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 121.578 0.704 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.74 -4.66 14.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.39 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 78.3 m-85 -111.87 153.65 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.71 131.96 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 14.7 t -72.02 88.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -51.01 -26.77 6.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -59.83 -64.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -94.61 -45.42 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.8 24.46 2.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -91.17 -179.62 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 p -141.18 155.16 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -146.16 135.91 23.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -54.3 -44.78 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -120.42 138.92 53.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.635 ' HD2' HD23 ' A' ' 28' ' ' LEU . 25.0 tptt -57.75 -41.68 82.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' LYS . 43.2 t -37.05 -38.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.9 mt -77.26 -55.16 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.635 HD23 ' HD2' ' A' ' 25' ' ' LYS . 23.5 tp -46.65 -52.1 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -39.33 -57.1 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.76 -46.99 85.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -58.01 -20.28 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -85.94 -31.0 22.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -48.33 -48.25 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.9 t -65.33 -19.19 65.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 58.1 mttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.596 0.712 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.75 2.13 3.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 16.9 m-85 -108.67 150.36 27.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.09 112.51 0.55 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.5 t -48.9 113.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -83.15 37.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -132.29 -44.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -113.46 -41.68 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.94 25.72 2.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -93.91 173.71 7.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.0 p -132.55 156.46 46.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -145.17 143.78 30.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -58.92 -43.51 91.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 7.5 pt20 -130.09 160.77 32.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -70.47 -47.58 59.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' LYS . 38.7 m -36.54 -34.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.6 mt -83.91 -50.24 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -53.47 -49.44 67.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -43.32 -53.84 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.69 80.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 34' ' ' THR . 43.1 t60 -67.69 -27.5 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -72.69 -37.32 67.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -47.22 -30.63 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.7 t -90.05 26.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.604 0.716 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.72 -5.95 17.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 25' ' ' LYS . 63.2 m-85 -116.05 119.22 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.81 130.96 8.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -60.45 127.03 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -84.36 -16.04 44.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -76.43 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.06 -48.07 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.4 -25.6 3.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -44.53 134.28 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.512 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 19.7 p -101.03 170.66 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' ' C ' ' A' ' 21' ' ' THR . 52.2 m-85 -153.22 131.22 11.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.8 p -45.8 -47.33 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -125.29 141.94 51.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 13' ' ' TYR . 8.5 pttm -58.88 -41.59 87.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' LYS . 7.5 t -36.93 -43.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -76.53 -42.9 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -53.16 -51.92 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.5 p -38.57 -49.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.71 85.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' HG22 ' A' ' 34' ' ' THR . 62.4 t60 -58.21 -26.81 63.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -80.23 -28.31 38.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -49.18 -49.09 44.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.2 t -64.55 -28.76 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 10.0 mptt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.579 0.704 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -12.31 32.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.376 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 54.7 m-85 -104.99 143.08 33.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.74 130.6 5.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 t -82.6 108.99 16.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.407 ' C ' ' CD ' ' A' ' 17' ' ' GLU . 2.9 t-20 -86.35 36.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.8 mp0 -125.45 -38.66 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -124.55 -37.8 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.6 25.99 3.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 42.0 mttp -96.85 174.43 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 32.0 p -137.21 160.85 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.719 ' CD1' HD13 ' A' ' 28' ' ' LEU . 24.7 m-85 -151.28 132.4 14.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -60.6 -39.41 88.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -123.32 148.44 45.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 25.7 ttpt -68.07 -42.42 80.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.7 t -38.48 -39.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.71 -47.41 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.719 HD13 ' CD1' ' A' ' 22' ' ' PHE . 38.2 tp -53.61 -54.72 33.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LEU . 4.4 t -37.25 -60.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.98 69.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.656 ' O ' HG22 ' A' ' 34' ' ' THR . 68.3 t60 -63.0 -32.84 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -77.84 -32.38 52.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -48.57 -39.63 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.9 t -73.99 -23.1 59.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 3.0 mtmp? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -12.15 32.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 23.1 m-85 -94.61 141.19 28.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.11 104.83 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.9 t -41.32 113.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.72 38.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' CG ' ' HB3' ' A' ' 35' ' ' HIS . 12.9 mm-40 -131.84 -41.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -123.41 -41.72 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.63 24.62 2.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -98.43 133.66 42.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 p -98.34 168.56 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -154.5 131.98 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -52.97 -43.94 66.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.54 137.95 54.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 16.2 ttmt -58.41 -43.57 88.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' LYS . 48.7 p -36.01 -37.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.9 mt -79.34 -50.77 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 13' ' ' TYR . 24.4 tp -50.7 -49.01 58.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -40.77 -62.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.33 80.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' HG22 ' A' ' 34' ' ' THR . 66.7 t60 -54.79 -33.42 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -72.51 -30.39 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -49.37 -35.23 18.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.9 t -91.08 27.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 55.8 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mptt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.533 0.682 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.73 1.59 4.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 71.3 m-85 -110.78 121.29 44.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.653 ' HA2' HG22 ' A' ' 21' ' ' THR . . . -120.94 135.39 10.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.49 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 19' ' ' GLY . 11.5 t -78.52 98.85 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -56.41 -27.92 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -60.63 -65.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -105.13 -45.14 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 136.8 -31.05 2.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -42.17 131.19 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.653 HG22 ' HA2' ' A' ' 14' ' ' GLY . 43.4 p -104.36 163.64 12.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -141.66 162.39 35.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.4 p -71.59 -42.72 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 6.9 pt20 -129.76 164.34 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.51 -39.94 62.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.6 m -42.62 -36.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.0 mt -84.23 -58.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -45.45 -33.6 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 t -56.2 -55.47 32.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -31.51 70.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -70.7 -25.11 62.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -82.58 -19.12 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -60.52 -32.1 71.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.2 t -94.11 21.53 6.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 39.6 mttm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.557 0.694 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.8 -11.62 31.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 26.2 m-85 -95.07 137.7 33.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.99 112.13 1.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -50.33 109.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -81.08 42.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -133.99 -44.18 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -119.08 -38.86 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.14 25.19 2.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 34.5 mtpt -95.44 170.7 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.9 p -136.23 163.59 30.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -150.81 137.32 18.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.6 t -54.37 -44.95 72.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -119.48 145.57 46.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 9.5 ptpp? -63.18 -39.72 95.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 8.3 t -39.92 -50.25 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.91 -48.42 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 13' ' ' TYR . 20.0 tp -50.91 -47.07 60.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -44.17 -57.28 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.74 79.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.509 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 59.4 t60 -64.61 -28.26 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -76.54 -26.53 55.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -51.52 -39.98 58.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t -86.7 26.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.3 Cg_endo -69.7 -1.46 8.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 33.4 m-85 -110.38 131.08 55.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.93 127.93 3.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 37.9 t -78.75 67.88 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' CYS . 45.9 t30 -34.56 -36.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' CYS . 5.7 mm-40 -42.66 -51.48 5.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.52 -37.02 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 25.12 3.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -91.68 177.85 6.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 p -137.61 157.29 46.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD1' HD13 ' A' ' 28' ' ' LEU . 53.7 m-85 -153.07 129.63 10.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 m -51.62 -44.51 62.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -122.82 157.29 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 19.0 ttmm -72.12 -44.42 63.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' LYS . 8.0 t -36.45 -38.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.1 mt -80.22 -50.41 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 22' ' ' PHE . 28.5 tp -53.74 -54.3 40.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 t -41.93 -48.63 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' LEU . 45.2 t60 -75.54 -24.6 56.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -77.4 -19.93 55.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -55.25 -41.64 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -84.26 20.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 23' ' ' SER . 38.4 mmtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.533 0.683 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.55 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.8 -19.78 35.52 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.55 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 39.3 m-85 -91.64 143.03 26.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.73 119.45 1.56 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 t -60.98 119.49 8.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -78.6 -22.64 46.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.48 -61.31 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 p -100.45 -47.88 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.06 22.83 1.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -83.78 178.19 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 p -133.08 147.83 52.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -137.35 151.97 49.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.463 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 14.0 t -66.0 -42.29 89.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.527 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.0 pt20 -136.03 175.37 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -74.77 -53.77 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.3 t -35.99 -37.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.448 ' CD1' ' HG2' ' A' ' 24' ' ' GLN . 45.9 mt -78.06 -56.15 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 tp -53.2 -54.63 33.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 t -40.41 -55.36 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.59 73.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.926 ' O ' HG22 ' A' ' 34' ' ' THR . 46.9 t60 -60.31 -35.19 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.94 -25.65 68.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 -55.82 -25.94 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.926 HG22 ' O ' ' A' ' 31' ' ' HIS . 11.0 t -95.91 23.56 6.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 37.3 mttm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.522 0.677 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 -11.46 30.91 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.394 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 34.9 m-85 -99.36 123.72 43.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.72 131.62 7.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -72.79 156.51 38.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -109.02 -28.09 9.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 8.5 mm-40 -61.99 -48.29 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.01 -46.93 3.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.96 26.77 3.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -99.2 136.62 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -97.41 156.22 16.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.432 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 81.4 m-85 -137.12 141.6 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 86.5 p -50.58 -49.22 56.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -124.13 151.1 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -65.19 -27.43 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 t -52.96 -38.81 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.4 mt -77.45 -42.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -58.4 -50.58 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -40.36 -59.5 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.04 74.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -69.35 -18.02 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -87.24 -17.56 32.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -68.47 -32.04 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.0 t -88.36 18.16 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.419 ' ND1' ' HB3' ' A' ' 17' ' ' GLU . 18.3 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 19.3 mmmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.531 0.681 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.79 -2.56 10.41 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 60.4 m-85 -113.25 128.29 56.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.48 133.74 6.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.5 114.29 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -85.05 40.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.41 -45.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -110.49 -42.88 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.14 25.7 2.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 6.6 mtpm? -100.64 167.36 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.483 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 24.8 p -123.09 164.06 19.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.739 ' CE1' HD13 ' A' ' 28' ' ' LEU . 15.1 m-85 -152.52 127.4 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.458 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 15.8 t -53.34 -42.93 67.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -123.9 153.7 40.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 22.2 ttpp -69.89 -45.14 68.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -38.83 -36.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.7 mt -80.3 -52.38 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.739 HD13 ' CE1' ' A' ' 22' ' ' PHE . 19.9 tp -54.03 -54.56 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' LEU . 39.5 t -37.81 -55.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.18 79.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 13.9 t60 -69.59 -20.5 63.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -87.9 -21.87 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -58.65 -36.83 74.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.1 t -71.75 -31.87 67.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 23' ' ' SER . 31.1 mttm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -0.68 7.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 15.2 m-85 -99.53 125.18 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA2' HG22 ' A' ' 21' ' ' THR . . . -119.33 131.69 9.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.5 t -68.81 118.68 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -85.02 30.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' CG ' ' HB3' ' A' ' 35' ' ' HIS . 16.9 mm-40 -129.28 -37.73 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -132.53 -44.02 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 137.96 -34.68 2.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLY . 46.5 mttm -38.01 144.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.425 HG22 ' HA2' ' A' ' 14' ' ' GLY . 38.8 p -115.26 165.68 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.519 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 45.0 m-85 -148.72 138.17 21.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 47.1 t -53.49 -45.66 69.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -122.31 139.26 54.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 1.3 ttmp? -56.56 -43.88 80.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' LYS . 15.8 t -36.23 -39.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -78.5 -58.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 14.2 tp -45.22 -49.58 12.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 t -38.42 -59.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.54 79.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 34' ' ' THR . 56.1 t60 -53.28 -27.15 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -80.41 -32.05 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -44.67 -48.84 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.0 t -66.06 -30.74 71.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 41.0 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 23' ' ' SER . 16.7 mtmm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.598 0.713 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.547 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.73 -2.34 10.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.393 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 18.8 m-85 -111.16 152.53 26.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.43 101.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 t -44.23 107.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.828 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.41 41.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -132.61 -46.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.62 -38.8 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.2 26.22 3.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -102.87 130.35 49.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.7 p -97.28 167.35 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -150.17 134.56 17.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 36.7 p -55.56 -43.5 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -127.93 145.28 51.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tppt? -56.96 -42.72 80.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' LYS . 26.9 t -36.1 -39.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.5 mt -77.85 -54.76 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 13' ' ' TYR . 52.5 tp -47.81 -34.27 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -57.87 -52.45 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.15 -35.5 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.659 ' O ' HG22 ' A' ' 34' ' ' THR . 77.5 t60 -68.42 -51.1 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -46.7 -28.2 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -48.13 -39.27 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 31' ' ' HIS . 13.5 t -86.56 27.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 23' ' ' SER . 2.2 mptp? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.569 0.7 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 0.0 6.25 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 57.5 m-85 -112.83 155.73 24.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.33 139.5 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' HA ' HD11 ' A' ' 28' ' ' LEU . 47.1 t -71.13 116.94 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -84.41 31.4 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -131.32 -38.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -129.77 -44.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 138.44 -36.46 1.9 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' GLY . 64.0 mttt -35.06 134.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.47 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 79.7 p -107.09 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 21' ' ' THR . 51.6 m-85 -151.27 149.42 29.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 48.4 t -59.79 -45.28 92.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.404 ' CG ' HG13 ' A' ' 27' ' ' ILE . 16.9 pt20 -124.33 171.61 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 27.5 tttm -79.41 -50.15 11.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t -36.18 -35.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.404 HG13 ' CG ' ' A' ' 24' ' ' GLN . 54.9 mt -80.12 -55.45 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' ' 15' ' ' CYS . 19.3 tp -53.38 -53.7 47.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.8 t -35.64 -58.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.4 72.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.467 ' O ' HG22 ' A' ' 34' ' ' THR . 63.3 t60 -52.61 -28.25 20.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.65 -32.57 23.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -52.38 -34.13 46.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.1 t -80.93 -24.85 37.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 34.7 mttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.602 0.715 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 -15.79 37.14 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.605 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.7 m-85 -91.92 133.94 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.87 105.59 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.9 t -47.04 111.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -83.39 39.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -131.94 -47.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -112.86 -41.02 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.52 24.66 2.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 30.9 mttt -93.86 172.22 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -137.15 156.34 48.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 22.6 m-85 -149.08 134.61 18.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -60.35 -39.94 88.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.435 ' CD ' HD12 ' A' ' 27' ' ' ILE . 5.2 pm0 -119.91 143.86 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 9.0 tppt? -65.07 -42.61 93.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 t -38.73 -35.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.435 HD12 ' CD ' ' A' ' 24' ' ' GLN . 75.1 mt -83.21 -51.59 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 13' ' ' TYR . 15.1 tp -52.1 -52.71 49.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.0 t -37.12 -62.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.45 -45.82 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.406 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 34.4 t60 -60.53 -26.56 66.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -86.29 -28.88 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -51.57 -45.63 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.1 t -69.07 -28.01 66.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.905 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.1 mptt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.77 -10.82 29.47 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 70.6 m-85 -105.98 122.39 46.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.58 116.86 3.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -65.08 110.15 2.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.439 ' C ' ' OE2' ' A' ' 17' ' ' GLU . 7.8 m-80 -85.42 35.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.8 mp0 -126.43 -35.58 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.7 p -128.18 -44.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.15 24.64 2.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -97.76 142.19 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 p -106.93 162.5 13.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.1 m-85 -151.75 127.84 10.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -50.77 -45.16 58.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.57 ' NE2' HD11 ' A' ' 27' ' ' ILE . 19.3 pm0 -125.04 147.95 48.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -57.24 -39.58 75.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -40.51 -42.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.57 HD11 ' NE2' ' A' ' 24' ' ' GLN . 58.9 mt -71.68 -55.99 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.592 HD13 ' CE1' ' A' ' 22' ' ' PHE . 26.8 tp -49.65 -54.99 15.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 m -39.51 -54.38 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.51 78.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.946 ' O ' HG22 ' A' ' 34' ' ' THR . 56.6 t60 -65.75 -47.42 75.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' HIS . 43.1 mt-30 -47.15 -34.11 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -45.8 -32.11 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.946 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.3 t -87.84 25.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' GLN . 62.2 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.3 mtmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.482 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 1.61 4.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.67 ' HB3' HD22 ' A' ' 28' ' ' LEU . 65.2 m-85 -110.99 135.09 52.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.96 119.64 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' ASN . 18.1 t -77.96 66.32 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' CYS . 18.9 m120 -34.48 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.4 mp0 -42.78 -49.86 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.81 -36.66 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 26.99 4.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -102.37 146.27 28.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.3 p -107.06 153.67 22.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -141.19 131.63 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 t -56.63 -41.67 77.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -123.62 150.4 44.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 16.7 ptmt -67.83 -43.84 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' LYS . 42.5 t -38.0 -46.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.9 mt -72.31 -43.64 64.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 13' ' ' TYR . 20.2 tp -57.28 -54.02 51.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.9 m -39.99 -57.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.4 84.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.548 ' O ' HG22 ' A' ' 34' ' ' THR . 66.6 t60 -58.62 -29.39 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -77.72 -30.24 51.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -44.99 -46.51 11.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.8 t -68.31 -26.03 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 p -63.07 -45.77 90.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m 40.43 42.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.44 118.73 1.54 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -85.29 90.15 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -127.51 112.8 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.29 -130.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.6 t -86.51 -40.68 15.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.58 42.67 1.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 16.0 pt-20 -100.26 -47.55 4.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -131.79 67.62 79.81 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.7 . . . . 0.0 110.878 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.73 -3.74 12.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.382 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 53.7 m-85 -110.09 154.03 23.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.11 139.29 6.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 34.0 t -94.58 66.53 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' CYS . 17.5 t30 -34.51 -38.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' CYS . 44.5 mm-40 -40.8 -49.38 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -110.89 -36.31 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.6 27.07 3.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -100.36 174.66 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.1 p -133.2 152.35 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -139.32 154.12 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 t -71.0 -39.61 72.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.571 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.7 pt20 -136.71 153.6 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 16.8 ptmt -61.27 -51.27 69.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' LYS . 15.6 t -35.93 -35.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -82.71 -43.87 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 11.2 tp -62.54 -54.17 43.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 t -39.92 -54.77 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.21 83.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.505 ' O ' HG22 ' A' ' 34' ' ' THR . 23.4 t60 -61.93 -29.27 70.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -80.77 -23.87 39.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -55.84 -42.26 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 31' ' ' HIS . 13.7 t -71.53 -30.75 66.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -60.37 -42.05 94.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -39.67 146.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.75 54.73 17.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -75.15 106.47 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -83.56 144.17 45.42 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 97.09 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.396 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.0 p -70.31 -45.59 65.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.88 -94.91 1.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 108.49 2.1 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -64.2 94.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.0 p -161.02 150.12 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.506 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m 47.78 42.74 16.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 t -121.95 153.61 38.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.65 159.15 23.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -76.78 111.69 12.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -101.45 46.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.19 131.93 10.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 m -149.25 157.03 43.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.924 0.392 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.98 -30.54 9.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.95 -44.07 97.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 23' ' ' SER . 0.7 OUTLIER -129.38 77.39 77.5 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.52 0.676 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.73 -0.48 6.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.325 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 77.9 m-85 -112.14 132.35 54.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.992 0.425 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.13 133.84 7.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 10.0 t -73.95 95.85 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -56.14 -22.67 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -66.53 -65.11 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.44 -46.39 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 138.03 -32.36 2.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' GLY . 46.3 mttt -38.09 132.54 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.1 p -102.66 154.42 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -135.76 153.11 51.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 94.4 p -63.48 -44.0 95.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.577 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 2.9 pt20 -130.52 170.09 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 19.6 ttmm -74.92 -50.08 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' LYS . 47.3 t -36.42 -35.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -81.39 -54.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -51.8 -50.01 61.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -42.31 -53.67 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.62 -39.81 85.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -67.16 -19.68 65.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -83.21 -18.58 38.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -60.26 -32.25 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -90.8 22.06 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -121.49 -50.82 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.6 t -88.25 37.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.59 -37.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' LYS . 8.0 tt0 -46.1 169.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.378 . . . . 0.0 110.918 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' GLU . 8.6 mptt -37.75 143.99 0.36 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.569 0.7 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 134.14 27.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.5 m -95.84 -55.65 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.91 -95.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 164.93 32.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -160.84 151.02 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.3 t -156.39 153.37 28.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.486 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 p -95.3 42.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.831 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m 55.82 42.22 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.8 61.57 0.37 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -116.75 121.77 42.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -46.36 -62.62 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 96.28 -34.67 4.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.5 m -34.94 -44.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.26 129.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -121.68 81.47 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.376 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER 62.32 53.93 2.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.81 -18.06 36.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.321 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.7 ' HB3' HD22 ' A' ' 28' ' ' LEU . 40.4 m-85 -90.17 142.34 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' CYS . . . -137.49 92.37 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' GLY . 45.6 t -35.93 121.13 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.346 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -91.99 39.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -133.85 -48.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.0 p -114.25 -39.58 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.94 26.29 3.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -96.57 154.05 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.523 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 47.5 p -116.73 163.4 16.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 21' ' ' THR . 28.0 m-85 -150.96 128.85 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -47.62 -47.52 28.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -121.88 161.63 22.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 81.8 tttt -71.42 -46.17 60.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' LYS . 82.3 p -36.27 -40.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.92 -56.66 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 13' ' ' TYR . 17.7 tp -47.15 -50.46 20.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.961 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 t -42.73 -60.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.67 -34.49 62.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -71.65 -27.08 62.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -77.61 -22.57 50.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -52.28 -37.03 54.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.5 t -91.4 23.84 3.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -125.48 43.44 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLY . 16.9 p -124.48 -32.37 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' THR . . . 36.88 -139.72 0.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.528 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -158.22 143.96 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.411 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -92.34 146.28 32.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.76 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.299 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -172.47 171.92 4.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.79 150.87 34.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 172.21 13.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -106.21 102.82 12.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.9 t -93.56 -61.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.535 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m 59.88 42.3 16.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -143.42 136.01 27.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.22 -88.38 1.61 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -162.12 177.08 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m -57.34 104.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.33 -51.23 0.82 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -53.92 100.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.373 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.41 166.09 32.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -97.56 122.52 40.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.484 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 7.9 mtmp? 41.48 51.52 5.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.578 0.704 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.74 -4.66 14.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.39 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 78.3 m-85 -111.87 153.65 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.71 131.96 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 14.7 t -72.02 88.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -51.01 -26.77 6.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -59.83 -64.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -94.61 -45.42 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.8 24.46 2.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -91.17 -179.62 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 p -141.18 155.16 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -146.16 135.91 23.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -54.3 -44.78 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -120.42 138.92 53.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.635 ' HD2' HD23 ' A' ' 28' ' ' LEU . 25.0 tptt -57.75 -41.68 82.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' LYS . 43.2 t -37.05 -38.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.9 mt -77.26 -55.16 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.635 HD23 ' HD2' ' A' ' 25' ' ' LYS . 23.5 tp -46.65 -52.1 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -39.33 -57.1 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.76 -46.99 85.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -58.01 -20.28 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -85.94 -31.0 22.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -48.33 -48.25 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.9 t -65.33 -19.19 65.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -87.55 50.73 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.9 p -130.78 -42.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.38 47.74 1.58 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -126.77 173.11 9.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.4 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 7.6 mptt -119.09 143.89 34.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 101.99 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.6 m -97.17 94.39 7.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.24 83.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.16 50.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.339 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t -106.28 43.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 t -145.37 140.22 27.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.539 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -77.36 165.88 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 t -171.23 143.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.58 -111.75 0.89 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -126.18 147.38 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -100.72 111.92 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.82 72.39 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -96.93 139.93 32.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.69 -36.72 4.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -77.5 139.94 39.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 58.1 mttt 49.02 54.69 16.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.75 2.13 3.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 16.9 m-85 -108.67 150.36 27.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.09 112.51 0.55 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.5 t -48.9 113.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -83.15 37.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -132.29 -44.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -113.46 -41.68 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.94 25.72 2.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -93.91 173.71 7.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.0 p -132.55 156.46 46.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -145.17 143.78 30.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -58.92 -43.51 91.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 7.5 pt20 -130.09 160.77 32.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -70.47 -47.58 59.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' LYS . 38.7 m -36.54 -34.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.6 mt -83.91 -50.24 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -53.47 -49.44 67.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -43.32 -53.84 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.69 80.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 34' ' ' THR . 43.1 t60 -67.69 -27.5 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -72.69 -37.32 67.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -47.22 -30.63 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.7 t -90.05 26.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -132.78 -43.73 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.6 p -54.79 101.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.03 -41.27 1.98 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.3 92.7 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.409 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' CD ' ' HB3' ' A' ' 41' ' ' SER . 3.6 ptpt -154.23 156.21 31.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.693 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 2.89 3.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' PRO . 60.4 p -36.33 134.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.26 146.26 3.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.81 20.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.4 m -41.22 -54.86 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t 50.06 42.16 24.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.516 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -171.98 112.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 m -134.97 173.19 12.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.71 64.87 0.35 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -98.27 45.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -79.05 46.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.06 154.65 16.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -102.53 171.01 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' HD3' ' A' ' 12' ' ' PRO . . . 60.47 -137.71 48.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 72.65 47.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER 61.83 53.5 2.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 110.95 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.72 -5.95 17.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 25' ' ' LYS . 63.2 m-85 -116.05 119.22 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.81 130.96 8.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -60.45 127.03 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -84.36 -16.04 44.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -76.43 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.06 -48.07 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.4 -25.6 3.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -44.53 134.28 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.512 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 19.7 p -101.03 170.66 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' ' C ' ' A' ' 21' ' ' THR . 52.2 m-85 -153.22 131.22 11.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.8 p -45.8 -47.33 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -125.29 141.94 51.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 13' ' ' TYR . 8.5 pttm -58.88 -41.59 87.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' LYS . 7.5 t -36.93 -43.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -76.53 -42.9 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -53.16 -51.92 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.5 p -38.57 -49.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.71 85.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' HG22 ' A' ' 34' ' ' THR . 62.4 t60 -58.21 -26.81 63.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -80.23 -28.31 38.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -49.18 -49.09 44.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.2 t -64.55 -28.76 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -71.31 76.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.8 p -155.2 173.43 16.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.65 114.45 3.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 39.85 42.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.923 0.392 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.71 152.35 9.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.592 0.71 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.1 Cg_endo -69.76 136.42 32.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' PRO . 94.4 p -37.01 155.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.17 83.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 105.42 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 m -139.15 174.16 10.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.5 p -173.98 148.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.524 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -43.13 -57.46 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 46.1 42.16 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.27 -168.41 12.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m 57.8 42.3 23.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -132.75 168.93 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.11 45.59 11.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.458 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -86.72 -44.0 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.883 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.08 47.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -116.1 82.26 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 10.0 mptt 62.15 52.59 2.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -12.31 32.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.376 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 54.7 m-85 -104.99 143.08 33.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.74 130.6 5.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 t -82.6 108.99 16.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.407 ' C ' ' CD ' ' A' ' 17' ' ' GLU . 2.9 t-20 -86.35 36.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.8 mp0 -125.45 -38.66 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -124.55 -37.8 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.6 25.99 3.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 42.0 mttp -96.85 174.43 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 32.0 p -137.21 160.85 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.719 ' CD1' HD13 ' A' ' 28' ' ' LEU . 24.7 m-85 -151.28 132.4 14.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -60.6 -39.41 88.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -123.32 148.44 45.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 25.7 ttpt -68.07 -42.42 80.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.7 t -38.48 -39.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.71 -47.41 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.719 HD13 ' CD1' ' A' ' 22' ' ' PHE . 38.2 tp -53.61 -54.72 33.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LEU . 4.4 t -37.25 -60.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.98 69.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.656 ' O ' HG22 ' A' ' 34' ' ' THR . 68.3 t60 -63.0 -32.84 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -77.84 -32.38 52.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -48.57 -39.63 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.9 t -73.99 -23.1 59.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -76.03 -40.84 52.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -96.66 39.1 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.25 102.64 1.08 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -81.6 147.55 29.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -82.92 143.97 47.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.539 0.685 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -48.25 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -47.43 165.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.69 -159.1 6.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -27.13 27.07 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.738 2.292 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.6 p -174.49 122.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.5 m -131.05 131.84 44.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.444 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -48.35 111.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -157.29 135.14 10.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.31 61.33 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 p -151.06 111.83 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.901 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -95.01 113.23 24.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -147.7 -42.62 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 7' ' ' GLY . 12.9 t 36.54 42.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.09 53.78 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -113.5 82.37 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.403 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 3.0 mtmp? 47.63 54.13 15.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -12.15 32.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 23.1 m-85 -94.61 141.19 28.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.11 104.83 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.9 t -41.32 113.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.72 38.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' CG ' ' HB3' ' A' ' 35' ' ' HIS . 12.9 mm-40 -131.84 -41.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -123.41 -41.72 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.63 24.62 2.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -98.43 133.66 42.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 p -98.34 168.56 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -154.5 131.98 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -52.97 -43.94 66.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.54 137.95 54.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 16.2 ttmt -58.41 -43.57 88.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' LYS . 48.7 p -36.01 -37.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.9 mt -79.34 -50.77 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 13' ' ' TYR . 24.4 tp -50.7 -49.01 58.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -40.77 -62.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.33 80.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' HG22 ' A' ' 34' ' ' THR . 66.7 t60 -54.79 -33.42 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -72.51 -30.39 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -49.37 -35.23 18.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.9 t -91.08 27.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 55.8 m-70 -131.29 41.58 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.2 p -131.63 119.57 21.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.87 43.85 4.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -124.41 76.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -174.96 144.75 0.85 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.539 0.685 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 92.18 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.1 t -57.03 112.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.2 -175.39 24.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 143.96 52.38 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 t -101.37 110.68 22.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -67.84 149.08 50.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.435 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m -83.8 159.21 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 p -68.88 85.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.811 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.48 169.56 54.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -83.03 -45.88 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -108.77 162.6 14.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.803 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.09 -62.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.442 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -134.74 154.5 51.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.78 70.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -54.79 -56.09 23.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -132.25 80.89 62.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.73 1.59 4.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 71.3 m-85 -110.78 121.29 44.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.653 ' HA2' HG22 ' A' ' 21' ' ' THR . . . -120.94 135.39 10.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.49 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 19' ' ' GLY . 11.5 t -78.52 98.85 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -56.41 -27.92 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -60.63 -65.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -105.13 -45.14 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 136.8 -31.05 2.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -42.17 131.19 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.653 HG22 ' HA2' ' A' ' 14' ' ' GLY . 43.4 p -104.36 163.64 12.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -141.66 162.39 35.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.4 p -71.59 -42.72 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 6.9 pt20 -129.76 164.34 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.51 -39.94 62.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.6 m -42.62 -36.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.0 mt -84.23 -58.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -45.45 -33.6 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 t -56.2 -55.47 32.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -31.51 70.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -70.7 -25.11 62.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -82.58 -19.12 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -60.52 -32.1 71.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.2 t -94.11 21.53 6.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -116.27 -51.26 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -105.15 157.02 17.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.46 -39.76 1.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -166.55 123.72 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -38.74 144.71 0.39 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 104.6 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 t -43.42 112.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.18 146.28 4.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 140.82 43.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.9 t -105.88 78.2 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.4 t -155.2 136.57 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 m -141.93 176.74 8.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -168.63 144.98 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.1 141.91 12.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -65.08 160.92 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -160.53 149.5 16.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.52 71.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -147.5 142.58 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.931 0.396 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.421 ' C ' ' HD3' ' A' ' 12' ' ' PRO . . . -67.39 -115.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 73.23 45.24 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 39.6 mttm 62.39 53.94 2.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.557 0.694 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.8 -11.62 31.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 26.2 m-85 -95.07 137.7 33.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.99 112.13 1.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -50.33 109.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -81.08 42.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -133.99 -44.18 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -119.08 -38.86 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.14 25.19 2.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 34.5 mtpt -95.44 170.7 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.9 p -136.23 163.59 30.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -150.81 137.32 18.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.6 t -54.37 -44.95 72.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -119.48 145.57 46.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 9.5 ptpp? -63.18 -39.72 95.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 8.3 t -39.92 -50.25 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.91 -48.42 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 13' ' ' TYR . 20.0 tp -50.91 -47.07 60.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -44.17 -57.28 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.74 79.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.509 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 59.4 t60 -64.61 -28.26 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -76.54 -26.53 55.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -51.52 -39.98 58.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t -86.7 26.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' THR . 50.9 m-70 -129.41 -57.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' HIS . 9.9 t -34.17 128.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.67 111.42 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 71.61 42.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 12.2 tttp -91.63 143.32 27.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.76 -175.98 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 t -100.56 123.41 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.28 146.46 18.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.3 p -52.14 147.42 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.1 p -124.53 162.66 23.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.469 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 t -82.17 -45.21 15.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -45.78 139.34 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 -47.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -121.56 133.91 55.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -58.82 112.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.7 48.48 3.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -95.65 78.91 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.822 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.19 -54.92 0.37 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -65.55 -57.81 7.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -125.0 67.28 53.0 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.3 Cg_endo -69.7 -1.46 8.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 33.4 m-85 -110.38 131.08 55.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.93 127.93 3.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 37.9 t -78.75 67.88 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' CYS . 45.9 t30 -34.56 -36.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' CYS . 5.7 mm-40 -42.66 -51.48 5.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.52 -37.02 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 25.12 3.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -91.68 177.85 6.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 p -137.61 157.29 46.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD1' HD13 ' A' ' 28' ' ' LEU . 53.7 m-85 -153.07 129.63 10.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 m -51.62 -44.51 62.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -122.82 157.29 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 19.0 ttmm -72.12 -44.42 63.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' LYS . 8.0 t -36.45 -38.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.1 mt -80.22 -50.41 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 22' ' ' PHE . 28.5 tp -53.74 -54.3 40.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 t -41.93 -48.63 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' LEU . 45.2 t60 -75.54 -24.6 56.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -77.4 -19.93 55.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -55.25 -41.64 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -84.26 20.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -122.25 42.83 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.2 p -114.87 -47.89 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.89 146.17 4.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -120.96 108.54 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -59.15 143.77 84.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' GLY . 53.7 Cg_endo -69.73 1.06 4.76 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -40.34 92.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' PRO . . . -120.65 -94.99 1.44 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 142.13 47.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.732 2.288 . . . . 0.0 112.353 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -154.56 152.81 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -83.16 43.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.531 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -73.76 84.15 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.857 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -126.61 168.86 13.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.0 47.67 2.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -48.71 -44.74 38.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.818 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -105.45 169.57 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.91 -100.68 2.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.2 p -154.62 151.26 28.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 104.49 2.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -86.83 93.07 9.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 23' ' ' SER . 38.4 mmtm 62.25 54.56 2.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.533 0.683 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.55 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.8 -19.78 35.52 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.55 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 39.3 m-85 -91.64 143.03 26.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.73 119.45 1.56 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 t -60.98 119.49 8.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -78.6 -22.64 46.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.48 -61.31 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 p -100.45 -47.88 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.06 22.83 1.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -83.78 178.19 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 p -133.08 147.83 52.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -137.35 151.97 49.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.463 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 14.0 t -66.0 -42.29 89.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.527 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.0 pt20 -136.03 175.37 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -74.77 -53.77 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.3 t -35.99 -37.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.448 ' CD1' ' HG2' ' A' ' 24' ' ' GLN . 45.9 mt -78.06 -56.15 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 tp -53.2 -54.63 33.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 t -40.41 -55.36 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.59 73.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.926 ' O ' HG22 ' A' ' 34' ' ' THR . 46.9 t60 -60.31 -35.19 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.94 -25.65 68.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 -55.82 -25.94 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.926 HG22 ' O ' ' A' ' 31' ' ' HIS . 11.0 t -95.91 23.56 6.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -121.83 42.57 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 t -159.62 128.83 5.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.6 -46.64 4.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -57.16 110.43 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.934 0.397 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -130.97 143.87 51.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -27.13 27.29 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.361 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 t -70.61 137.23 49.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.12 66.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -23.75 30.43 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.731 2.287 . . . . 0.0 112.377 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 p -147.73 161.21 41.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.2 p -112.33 42.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.438 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -114.66 42.22 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 p -162.77 132.13 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.84 -108.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -65.12 90.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.0 p -172.46 172.2 4.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.43 131.57 1.54 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -102.95 -47.35 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.78 108.71 2.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -126.76 88.22 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 37.3 mttm 53.18 52.96 11.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.522 0.677 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 -11.46 30.91 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.394 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 34.9 m-85 -99.36 123.72 43.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.72 131.62 7.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -72.79 156.51 38.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -109.02 -28.09 9.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 8.5 mm-40 -61.99 -48.29 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.01 -46.93 3.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.96 26.77 3.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -99.2 136.62 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -97.41 156.22 16.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.432 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 81.4 m-85 -137.12 141.6 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 86.5 p -50.58 -49.22 56.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -124.13 151.1 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -65.19 -27.43 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 t -52.96 -38.81 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.4 mt -77.45 -42.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -58.4 -50.58 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -40.36 -59.5 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.04 74.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -69.35 -18.02 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -87.24 -17.56 32.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -68.47 -32.04 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.0 t -88.36 18.16 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.419 ' ND1' ' HB3' ' A' ' 17' ' ' GLU . 18.3 m-70 -111.94 80.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.0 p -133.46 101.54 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.98 47.61 5.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -135.8 105.67 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.76 152.0 68.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 123.5 10.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -63.44 92.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.93 -169.92 46.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 2.73 3.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.313 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -50.94 103.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -72.6 150.89 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.521 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -166.77 109.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.9 p -134.35 159.04 42.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.61 102.03 0.82 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.8 m -46.03 155.08 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -96.72 -61.36 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.61 -58.41 0.7 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.8 p -83.6 43.04 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.942 0.401 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.83 115.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.535 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -107.98 103.92 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 19.3 mmmt 39.08 52.03 3.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.531 0.681 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.79 -2.56 10.41 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 60.4 m-85 -113.25 128.29 56.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.48 133.74 6.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.5 114.29 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -85.05 40.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.41 -45.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -110.49 -42.88 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.14 25.7 2.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 6.6 mtpm? -100.64 167.36 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.483 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 24.8 p -123.09 164.06 19.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.739 ' CE1' HD13 ' A' ' 28' ' ' LEU . 15.1 m-85 -152.52 127.4 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.458 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 15.8 t -53.34 -42.93 67.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -123.9 153.7 40.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 22.2 ttpp -69.89 -45.14 68.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -38.83 -36.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.7 mt -80.3 -52.38 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.739 HD13 ' CE1' ' A' ' 22' ' ' PHE . 19.9 tp -54.03 -54.56 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' LEU . 39.5 t -37.81 -55.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.18 79.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 13.9 t60 -69.59 -20.5 63.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -87.9 -21.87 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -58.65 -36.83 74.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.1 t -71.75 -31.87 67.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -63.64 -39.38 94.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -86.9 84.48 7.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.26 -157.45 33.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -122.83 11.01 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 10.8 ttmm -149.11 140.73 14.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.82 84.61 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.5 p -122.21 144.26 49.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.31 -178.26 26.01 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.65 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 t -78.8 110.51 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -168.75 159.09 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.553 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -100.66 167.87 10.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 m -77.65 126.17 30.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.72 48.79 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m 55.77 42.4 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -57.7 117.81 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.64 43.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.4 m -57.91 -56.81 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.76 40.78 2.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -66.22 -38.46 88.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.905 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 31.1 mttm -131.89 75.13 76.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -0.68 7.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 15.2 m-85 -99.53 125.18 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA2' HG22 ' A' ' 21' ' ' THR . . . -119.33 131.69 9.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.5 t -68.81 118.68 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -85.02 30.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' CG ' ' HB3' ' A' ' 35' ' ' HIS . 16.9 mm-40 -129.28 -37.73 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -132.53 -44.02 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 137.96 -34.68 2.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLY . 46.5 mttm -38.01 144.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.425 HG22 ' HA2' ' A' ' 14' ' ' GLY . 38.8 p -115.26 165.68 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.519 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 45.0 m-85 -148.72 138.17 21.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 47.1 t -53.49 -45.66 69.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -122.31 139.26 54.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 1.3 ttmp? -56.56 -43.88 80.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' LYS . 15.8 t -36.23 -39.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -78.5 -58.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 14.2 tp -45.22 -49.58 12.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 t -38.42 -59.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.54 79.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 34' ' ' THR . 56.1 t60 -53.28 -27.15 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -80.41 -32.05 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -44.67 -48.84 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.0 t -66.06 -30.74 71.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 41.0 m-70 -69.17 -50.92 43.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.413 ' O ' HG23 ' A' ' 36' ' ' THR . 11.7 t -77.78 127.6 32.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.42 62.06 2.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -115.06 87.21 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -145.89 143.95 20.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 102.92 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.36 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.8 m -122.65 -53.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.88 -167.91 34.15 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 95.96 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.4 p -134.07 93.98 3.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 m -49.93 127.88 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.487 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.1 p -72.94 157.42 37.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -151.84 126.08 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.66 170.87 39.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -83.13 82.11 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m -112.1 140.25 46.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.66 135.92 3.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -151.15 126.33 9.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.96 -26.87 6.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -56.02 -65.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 23' ' ' SER . 16.7 mtmm -110.19 79.57 1.63 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.73 -2.34 10.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.393 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 18.8 m-85 -111.16 152.53 26.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.43 101.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 t -44.23 107.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.828 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.41 41.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -132.61 -46.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.62 -38.8 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.2 26.22 3.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -102.87 130.35 49.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.7 p -97.28 167.35 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -150.17 134.56 17.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 36.7 p -55.56 -43.5 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -127.93 145.28 51.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tppt? -56.96 -42.72 80.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' LYS . 26.9 t -36.1 -39.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.5 mt -77.85 -54.76 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 13' ' ' TYR . 52.5 tp -47.81 -34.27 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -57.87 -52.45 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.15 -35.5 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.659 ' O ' HG22 ' A' ' 34' ' ' THR . 77.5 t60 -68.42 -51.1 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -46.7 -28.2 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -48.13 -39.27 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 31' ' ' HIS . 13.5 t -86.56 27.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -133.62 -52.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.4 t -87.28 162.55 17.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.9 -123.49 6.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.87 84.36 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.1 ttpp -146.23 139.62 14.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.71 . . . . 0.0 110.858 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.73 117.8 5.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.3 p -142.14 150.96 41.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.35 146.34 22.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 91.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.308 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.4 m -105.62 148.56 27.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 m -78.09 -52.45 8.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.486 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -128.95 138.1 51.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 p -74.98 177.82 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -169.84 -40.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' GLY . 54.2 p -37.4 149.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.957 0.408 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -80.47 -61.05 2.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.8 162.07 28.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -65.29 111.07 2.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.83 -31.44 80.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.69 -49.6 75.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.933 0.396 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 23' ' ' SER . 2.2 mptp? -129.18 80.48 72.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 0.0 6.25 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 57.5 m-85 -112.83 155.73 24.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.33 139.5 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' HA ' HD11 ' A' ' 28' ' ' LEU . 47.1 t -71.13 116.94 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -84.41 31.4 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -131.32 -38.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -129.77 -44.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 138.44 -36.46 1.9 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' GLY . 64.0 mttt -35.06 134.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.47 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 79.7 p -107.09 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 21' ' ' THR . 51.6 m-85 -151.27 149.42 29.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 48.4 t -59.79 -45.28 92.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' CG ' HG13 ' A' ' 27' ' ' ILE . 16.9 pt20 -124.33 171.61 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 27.5 tttm -79.41 -50.15 11.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t -36.18 -35.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.404 HG13 ' CG ' ' A' ' 24' ' ' GLN . 54.9 mt -80.12 -55.45 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' ' 15' ' ' CYS . 19.3 tp -53.38 -53.7 47.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.8 t -35.64 -58.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.4 72.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' O ' HG22 ' A' ' 34' ' ' THR . 63.3 t60 -52.61 -28.25 20.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.65 -32.57 23.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -52.38 -34.13 46.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.1 t -80.93 -24.85 37.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -68.07 -42.59 80.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -87.41 -39.33 15.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.17 -158.8 2.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -129.67 81.58 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 51.7 tttp -116.58 139.4 25.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.555 0.693 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 42' ' ' GLY . 53.9 Cg_endo -69.78 0.56 5.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.36 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.0 p -56.79 81.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 40' ' ' PRO . . . 107.52 83.31 1.56 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.501 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 0.91 4.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.26 . . . . 0.0 112.387 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.2 p -50.87 138.49 18.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 t -129.83 151.77 50.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.487 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 p -93.35 165.35 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -127.65 120.8 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.39 85.01 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 m -99.59 83.72 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 p -148.3 146.83 28.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.62 42.12 2.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.8 p -112.33 131.69 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.33 105.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 11' ' ' LYS . 11.7 pt-20 -130.88 110.28 11.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 34.7 mttp 35.51 54.71 2.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 -15.79 37.14 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.605 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.7 m-85 -91.92 133.94 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.87 105.59 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.9 t -47.04 111.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -83.39 39.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -131.94 -47.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -112.86 -41.02 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.52 24.66 2.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 30.9 mttt -93.86 172.22 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -137.15 156.34 48.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 22.6 m-85 -149.08 134.61 18.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -60.35 -39.94 88.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.435 ' CD ' HD12 ' A' ' 27' ' ' ILE . 5.2 pm0 -119.91 143.86 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 9.0 tppt? -65.07 -42.61 93.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 t -38.73 -35.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.435 HD12 ' CD ' ' A' ' 24' ' ' GLN . 75.1 mt -83.21 -51.59 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 13' ' ' TYR . 15.1 tp -52.1 -52.71 49.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.0 t -37.12 -62.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.45 -45.82 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.406 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 34.4 t60 -60.53 -26.56 66.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -86.29 -28.88 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -51.57 -45.63 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.1 t -69.07 -28.01 66.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -70.58 -61.99 1.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -53.4 146.74 11.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.32 120.3 6.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.447 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -109.9 37.98 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 65.0 tttt -162.36 139.39 6.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.553 0.692 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.75 -50.01 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.5 m -82.03 135.01 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.19 83.33 0.32 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 115.16 3.96 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.374 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -132.18 141.99 49.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.4 m -117.67 108.29 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.486 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -55.07 156.93 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 t -102.97 98.26 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.63 -87.33 1.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.7 p -114.04 41.27 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -89.86 87.73 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.31 58.2 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.6 m -129.92 39.76 3.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.84 145.37 10.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.481 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -90.18 91.51 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.398 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.1 mptt 62.07 54.9 2.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.77 -10.82 29.47 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 70.6 m-85 -105.98 122.39 46.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.58 116.86 3.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -65.08 110.15 2.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' C ' ' OE2' ' A' ' 17' ' ' GLU . 7.8 m-80 -85.42 35.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.8 mp0 -126.43 -35.58 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.7 p -128.18 -44.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.15 24.64 2.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -97.76 142.19 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 p -106.93 162.5 13.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.1 m-85 -151.75 127.84 10.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -50.77 -45.16 58.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.57 ' NE2' HD11 ' A' ' 27' ' ' ILE . 19.3 pm0 -125.04 147.95 48.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -57.24 -39.58 75.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -40.51 -42.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.57 HD11 ' NE2' ' A' ' 24' ' ' GLN . 58.9 mt -71.68 -55.99 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.592 HD13 ' CE1' ' A' ' 22' ' ' PHE . 26.8 tp -49.65 -54.99 15.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 m -39.51 -54.38 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.51 78.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.946 ' O ' HG22 ' A' ' 34' ' ' THR . 56.6 t60 -65.75 -47.42 75.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' HIS . 43.1 mt-30 -47.15 -34.11 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -45.8 -32.11 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.946 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.3 t -87.84 25.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' GLN . 62.2 m-70 -133.26 -43.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.5 p -80.8 139.69 35.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.03 43.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -94.81 110.36 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 15.7 ttmm -130.2 139.33 35.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.708 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.73 164.21 35.35 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.646 2.23 . . . . 0.0 112.341 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 t -39.64 132.61 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.64 -160.43 29.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.7 36.06 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -101.62 104.27 15.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -67.56 118.76 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.506 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 m -99.21 83.66 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -54.9 107.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.68 173.04 19.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 p -147.46 175.5 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 p -118.2 172.12 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.87 -43.82 1.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -59.78 162.19 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.38 63.34 0.35 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -88.54 49.64 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.3 mtmm 63.69 54.97 1.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 1.61 4.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.67 ' HB3' HD22 ' A' ' 28' ' ' LEU . 65.2 m-85 -110.99 135.09 52.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.96 119.64 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' ASN . 18.1 t -77.96 66.32 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' CYS . 18.9 m120 -34.48 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.4 mp0 -42.78 -49.86 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.81 -36.66 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 26.99 4.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -102.37 146.27 28.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.3 p -107.06 153.67 22.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -141.19 131.63 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 t -56.63 -41.67 77.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -123.62 150.4 44.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 16.7 ptmt -67.83 -43.84 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' LYS . 42.5 t -38.0 -46.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.9 mt -72.31 -43.64 64.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 13' ' ' TYR . 20.2 tp -57.28 -54.02 51.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.9 m -39.99 -57.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.4 84.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.548 ' O ' HG22 ' A' ' 34' ' ' THR . 66.6 t60 -58.62 -29.39 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -77.72 -30.24 51.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -44.99 -46.51 11.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.8 t -68.31 -26.03 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -76.11 75.17 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.6 p -137.8 142.85 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.92 -61.64 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -104.18 -1.63 26.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -109.94 81.02 1.91 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.701 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 178.68 4.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -118.86 -51.58 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.63 -74.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 106.61 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.9 t -39.94 109.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.7 m -131.57 121.28 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.495 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.571 0.7 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.73 -3.74 12.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.382 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 53.7 m-85 -110.09 154.03 23.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.11 139.29 6.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 34.0 t -94.58 66.53 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' CYS . 17.5 t30 -34.51 -38.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' CYS . 44.5 mm-40 -40.8 -49.38 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -110.89 -36.31 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.6 27.07 3.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -100.36 174.66 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.1 p -133.2 152.35 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -139.32 154.12 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 t -71.0 -39.61 72.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.571 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.7 pt20 -136.71 153.6 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 16.8 ptmt -61.27 -51.27 69.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' LYS . 15.6 t -35.93 -35.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -82.71 -43.87 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 11.2 tp -62.54 -54.17 43.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 t -39.92 -54.77 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.21 83.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.505 ' O ' HG22 ' A' ' 34' ' ' THR . 23.4 t60 -61.93 -29.27 70.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -80.77 -23.87 39.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -55.84 -42.26 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 31' ' ' HIS . 13.7 t -71.53 -30.75 66.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 23' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.52 0.676 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.73 -0.48 6.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.325 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 77.9 m-85 -112.14 132.35 54.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.992 0.425 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.13 133.84 7.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 10.0 t -73.95 95.85 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -56.14 -22.67 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -66.53 -65.11 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.44 -46.39 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 138.03 -32.36 2.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' GLY . 46.3 mttt -38.09 132.54 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.1 p -102.66 154.42 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -135.76 153.11 51.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 94.4 p -63.48 -44.0 95.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.577 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 2.9 pt20 -130.52 170.09 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 19.6 ttmm -74.92 -50.08 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' LYS . 47.3 t -36.42 -35.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -81.39 -54.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -51.8 -50.01 61.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -42.31 -53.67 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.62 -39.81 85.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -67.16 -19.68 65.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -83.21 -18.58 38.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -60.26 -32.25 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -90.8 22.06 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.594 0.711 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.81 -18.06 36.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.321 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.7 ' HB3' HD22 ' A' ' 28' ' ' LEU . 40.4 m-85 -90.17 142.34 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' CYS . . . -137.49 92.37 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' GLY . 45.6 t -35.93 121.13 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.346 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -91.99 39.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -133.85 -48.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.0 p -114.25 -39.58 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.94 26.29 3.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -96.57 154.05 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.523 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 47.5 p -116.73 163.4 16.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 21' ' ' THR . 28.0 m-85 -150.96 128.85 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -47.62 -47.52 28.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -121.88 161.63 22.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 81.8 tttt -71.42 -46.17 60.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' LYS . 82.3 p -36.27 -40.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.92 -56.66 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 13' ' ' TYR . 17.7 tp -47.15 -50.46 20.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.961 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 t -42.73 -60.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.67 -34.49 62.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -71.65 -27.08 62.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -77.61 -22.57 50.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -52.28 -37.03 54.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.5 t -91.4 23.84 3.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.484 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 7.9 mtmp? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 121.578 0.704 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.74 -4.66 14.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.39 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 78.3 m-85 -111.87 153.65 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.71 131.96 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 14.7 t -72.02 88.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -51.01 -26.77 6.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -59.83 -64.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -94.61 -45.42 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.8 24.46 2.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -91.17 -179.62 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 p -141.18 155.16 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -146.16 135.91 23.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -54.3 -44.78 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -120.42 138.92 53.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.635 ' HD2' HD23 ' A' ' 28' ' ' LEU . 25.0 tptt -57.75 -41.68 82.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' LYS . 43.2 t -37.05 -38.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.9 mt -77.26 -55.16 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.635 HD23 ' HD2' ' A' ' 25' ' ' LYS . 23.5 tp -46.65 -52.1 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -39.33 -57.1 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.76 -46.99 85.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -58.01 -20.28 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -85.94 -31.0 22.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -48.33 -48.25 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.9 t -65.33 -19.19 65.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 58.1 mttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.596 0.712 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.75 2.13 3.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 16.9 m-85 -108.67 150.36 27.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.09 112.51 0.55 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.5 t -48.9 113.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -83.15 37.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -132.29 -44.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -113.46 -41.68 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.94 25.72 2.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -93.91 173.71 7.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.0 p -132.55 156.46 46.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -145.17 143.78 30.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -58.92 -43.51 91.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 7.5 pt20 -130.09 160.77 32.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -70.47 -47.58 59.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' LYS . 38.7 m -36.54 -34.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.6 mt -83.91 -50.24 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -53.47 -49.44 67.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -43.32 -53.84 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.69 80.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 34' ' ' THR . 43.1 t60 -67.69 -27.5 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -72.69 -37.32 67.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -47.22 -30.63 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.7 t -90.05 26.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.604 0.716 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.72 -5.95 17.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 25' ' ' LYS . 63.2 m-85 -116.05 119.22 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.81 130.96 8.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -60.45 127.03 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -84.36 -16.04 44.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -76.43 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.06 -48.07 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.4 -25.6 3.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -44.53 134.28 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.512 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 19.7 p -101.03 170.66 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' ' C ' ' A' ' 21' ' ' THR . 52.2 m-85 -153.22 131.22 11.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.8 p -45.8 -47.33 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -125.29 141.94 51.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 13' ' ' TYR . 8.5 pttm -58.88 -41.59 87.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' LYS . 7.5 t -36.93 -43.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -76.53 -42.9 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -53.16 -51.92 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.5 p -38.57 -49.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.71 85.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' HG22 ' A' ' 34' ' ' THR . 62.4 t60 -58.21 -26.81 63.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -80.23 -28.31 38.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -49.18 -49.09 44.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.2 t -64.55 -28.76 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 10.0 mptt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.579 0.704 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -12.31 32.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.376 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 54.7 m-85 -104.99 143.08 33.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.74 130.6 5.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 t -82.6 108.99 16.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.407 ' C ' ' CD ' ' A' ' 17' ' ' GLU . 2.9 t-20 -86.35 36.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.8 mp0 -125.45 -38.66 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -124.55 -37.8 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.6 25.99 3.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 42.0 mttp -96.85 174.43 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 32.0 p -137.21 160.85 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.719 ' CD1' HD13 ' A' ' 28' ' ' LEU . 24.7 m-85 -151.28 132.4 14.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -60.6 -39.41 88.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -123.32 148.44 45.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 25.7 ttpt -68.07 -42.42 80.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.7 t -38.48 -39.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.71 -47.41 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.719 HD13 ' CD1' ' A' ' 22' ' ' PHE . 38.2 tp -53.61 -54.72 33.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LEU . 4.4 t -37.25 -60.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.98 69.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.656 ' O ' HG22 ' A' ' 34' ' ' THR . 68.3 t60 -63.0 -32.84 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -77.84 -32.38 52.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -48.57 -39.63 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.9 t -73.99 -23.1 59.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 3.0 mtmp? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -12.15 32.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 23.1 m-85 -94.61 141.19 28.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.11 104.83 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.9 t -41.32 113.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -82.72 38.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' CG ' ' HB3' ' A' ' 35' ' ' HIS . 12.9 mm-40 -131.84 -41.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -123.41 -41.72 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.63 24.62 2.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -98.43 133.66 42.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 p -98.34 168.56 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -154.5 131.98 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -52.97 -43.94 66.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.54 137.95 54.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 16.2 ttmt -58.41 -43.57 88.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' LYS . 48.7 p -36.01 -37.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.9 mt -79.34 -50.77 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 13' ' ' TYR . 24.4 tp -50.7 -49.01 58.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -40.77 -62.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.33 80.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' HG22 ' A' ' 34' ' ' THR . 66.7 t60 -54.79 -33.42 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -72.51 -30.39 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -49.37 -35.23 18.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.9 t -91.08 27.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 55.8 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mptt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.533 0.682 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.73 1.59 4.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 71.3 m-85 -110.78 121.29 44.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.653 ' HA2' HG22 ' A' ' 21' ' ' THR . . . -120.94 135.39 10.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.49 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 19' ' ' GLY . 11.5 t -78.52 98.85 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -56.41 -27.92 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -60.63 -65.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -105.13 -45.14 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 136.8 -31.05 2.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -42.17 131.19 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.653 HG22 ' HA2' ' A' ' 14' ' ' GLY . 43.4 p -104.36 163.64 12.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -141.66 162.39 35.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.4 p -71.59 -42.72 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 6.9 pt20 -129.76 164.34 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.51 -39.94 62.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.6 m -42.62 -36.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.0 mt -84.23 -58.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -45.45 -33.6 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 t -56.2 -55.47 32.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -31.51 70.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -70.7 -25.11 62.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -82.58 -19.12 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -60.52 -32.1 71.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.2 t -94.11 21.53 6.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 39.6 mttm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.557 0.694 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.8 -11.62 31.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 26.2 m-85 -95.07 137.7 33.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.99 112.13 1.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -50.33 109.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -81.08 42.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -133.99 -44.18 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -119.08 -38.86 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.14 25.19 2.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 34.5 mtpt -95.44 170.7 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.9 p -136.23 163.59 30.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -150.81 137.32 18.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.6 t -54.37 -44.95 72.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -119.48 145.57 46.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 9.5 ptpp? -63.18 -39.72 95.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 8.3 t -39.92 -50.25 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.91 -48.42 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 13' ' ' TYR . 20.0 tp -50.91 -47.07 60.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -44.17 -57.28 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.74 79.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.509 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 59.4 t60 -64.61 -28.26 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -76.54 -26.53 55.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -51.52 -39.98 58.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t -86.7 26.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.3 Cg_endo -69.7 -1.46 8.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 33.4 m-85 -110.38 131.08 55.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.93 127.93 3.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 37.9 t -78.75 67.88 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' CYS . 45.9 t30 -34.56 -36.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' CYS . 5.7 mm-40 -42.66 -51.48 5.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.52 -37.02 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 25.12 3.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -91.68 177.85 6.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 p -137.61 157.29 46.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD1' HD13 ' A' ' 28' ' ' LEU . 53.7 m-85 -153.07 129.63 10.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 m -51.62 -44.51 62.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -122.82 157.29 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 19.0 ttmm -72.12 -44.42 63.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' LYS . 8.0 t -36.45 -38.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.1 mt -80.22 -50.41 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 22' ' ' PHE . 28.5 tp -53.74 -54.3 40.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 t -41.93 -48.63 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' LEU . 45.2 t60 -75.54 -24.6 56.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -77.4 -19.93 55.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -55.25 -41.64 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -84.26 20.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 23' ' ' SER . 38.4 mmtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.533 0.683 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.55 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.8 -19.78 35.52 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.55 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 39.3 m-85 -91.64 143.03 26.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.73 119.45 1.56 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 t -60.98 119.49 8.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -78.6 -22.64 46.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.48 -61.31 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 p -100.45 -47.88 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.06 22.83 1.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -83.78 178.19 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 p -133.08 147.83 52.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -137.35 151.97 49.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.463 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 14.0 t -66.0 -42.29 89.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.527 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.0 pt20 -136.03 175.37 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -74.77 -53.77 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.3 t -35.99 -37.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.448 ' CD1' ' HG2' ' A' ' 24' ' ' GLN . 45.9 mt -78.06 -56.15 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 tp -53.2 -54.63 33.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 t -40.41 -55.36 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.59 73.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.926 ' O ' HG22 ' A' ' 34' ' ' THR . 46.9 t60 -60.31 -35.19 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.94 -25.65 68.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 -55.82 -25.94 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.926 HG22 ' O ' ' A' ' 31' ' ' HIS . 11.0 t -95.91 23.56 6.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 37.3 mttm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.522 0.677 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 -11.46 30.91 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.394 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 34.9 m-85 -99.36 123.72 43.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.72 131.62 7.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -72.79 156.51 38.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -109.02 -28.09 9.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 8.5 mm-40 -61.99 -48.29 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.01 -46.93 3.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.96 26.77 3.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -99.2 136.62 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -97.41 156.22 16.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.432 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 81.4 m-85 -137.12 141.6 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 86.5 p -50.58 -49.22 56.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -124.13 151.1 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -65.19 -27.43 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 t -52.96 -38.81 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.4 mt -77.45 -42.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -58.4 -50.58 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -40.36 -59.5 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.04 74.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -69.35 -18.02 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -87.24 -17.56 32.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -68.47 -32.04 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.0 t -88.36 18.16 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.419 ' ND1' ' HB3' ' A' ' 17' ' ' GLU . 18.3 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 19.3 mmmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.531 0.681 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.79 -2.56 10.41 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 60.4 m-85 -113.25 128.29 56.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.48 133.74 6.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.5 114.29 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -85.05 40.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.41 -45.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -110.49 -42.88 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.14 25.7 2.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 6.6 mtpm? -100.64 167.36 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.483 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 24.8 p -123.09 164.06 19.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.739 ' CE1' HD13 ' A' ' 28' ' ' LEU . 15.1 m-85 -152.52 127.4 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.458 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 15.8 t -53.34 -42.93 67.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -123.9 153.7 40.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 22.2 ttpp -69.89 -45.14 68.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -38.83 -36.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.7 mt -80.3 -52.38 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.739 HD13 ' CE1' ' A' ' 22' ' ' PHE . 19.9 tp -54.03 -54.56 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' LEU . 39.5 t -37.81 -55.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.18 79.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 13.9 t60 -69.59 -20.5 63.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -87.9 -21.87 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -58.65 -36.83 74.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.1 t -71.75 -31.87 67.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 23' ' ' SER . 31.1 mttm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -0.68 7.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 15.2 m-85 -99.53 125.18 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA2' HG22 ' A' ' 21' ' ' THR . . . -119.33 131.69 9.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.5 t -68.81 118.68 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -85.02 30.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' CG ' ' HB3' ' A' ' 35' ' ' HIS . 16.9 mm-40 -129.28 -37.73 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -132.53 -44.02 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 137.96 -34.68 2.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLY . 46.5 mttm -38.01 144.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.425 HG22 ' HA2' ' A' ' 14' ' ' GLY . 38.8 p -115.26 165.68 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.519 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 45.0 m-85 -148.72 138.17 21.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 47.1 t -53.49 -45.66 69.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -122.31 139.26 54.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 1.3 ttmp? -56.56 -43.88 80.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' LYS . 15.8 t -36.23 -39.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -78.5 -58.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 14.2 tp -45.22 -49.58 12.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 t -38.42 -59.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.54 79.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 34' ' ' THR . 56.1 t60 -53.28 -27.15 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -80.41 -32.05 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -44.67 -48.84 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.0 t -66.06 -30.74 71.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 41.0 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 23' ' ' SER . 16.7 mtmm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.598 0.713 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.547 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.73 -2.34 10.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.393 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 18.8 m-85 -111.16 152.53 26.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.43 101.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 t -44.23 107.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.828 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -81.41 41.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -132.61 -46.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.62 -38.8 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.2 26.22 3.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -102.87 130.35 49.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.7 p -97.28 167.35 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -150.17 134.56 17.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 36.7 p -55.56 -43.5 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -127.93 145.28 51.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tppt? -56.96 -42.72 80.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' LYS . 26.9 t -36.1 -39.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.5 mt -77.85 -54.76 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 13' ' ' TYR . 52.5 tp -47.81 -34.27 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -57.87 -52.45 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.15 -35.5 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.659 ' O ' HG22 ' A' ' 34' ' ' THR . 77.5 t60 -68.42 -51.1 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -46.7 -28.2 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -48.13 -39.27 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 31' ' ' HIS . 13.5 t -86.56 27.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 23' ' ' SER . 2.2 mptp? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.569 0.7 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 0.0 6.25 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 57.5 m-85 -112.83 155.73 24.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.33 139.5 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' HA ' HD11 ' A' ' 28' ' ' LEU . 47.1 t -71.13 116.94 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -84.41 31.4 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -131.32 -38.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -129.77 -44.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 138.44 -36.46 1.9 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' GLY . 64.0 mttt -35.06 134.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.47 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 79.7 p -107.09 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 21' ' ' THR . 51.6 m-85 -151.27 149.42 29.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 48.4 t -59.79 -45.28 92.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.404 ' CG ' HG13 ' A' ' 27' ' ' ILE . 16.9 pt20 -124.33 171.61 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 27.5 tttm -79.41 -50.15 11.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t -36.18 -35.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.404 HG13 ' CG ' ' A' ' 24' ' ' GLN . 54.9 mt -80.12 -55.45 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' ' 15' ' ' CYS . 19.3 tp -53.38 -53.7 47.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.8 t -35.64 -58.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.4 72.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.467 ' O ' HG22 ' A' ' 34' ' ' THR . 63.3 t60 -52.61 -28.25 20.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.65 -32.57 23.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -52.38 -34.13 46.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.1 t -80.93 -24.85 37.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 34.7 mttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.602 0.715 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 -15.79 37.14 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.605 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.7 m-85 -91.92 133.94 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.87 105.59 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.9 t -47.04 111.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -83.39 39.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -131.94 -47.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -112.86 -41.02 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.52 24.66 2.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 30.9 mttt -93.86 172.22 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -137.15 156.34 48.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 22.6 m-85 -149.08 134.61 18.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -60.35 -39.94 88.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.435 ' CD ' HD12 ' A' ' 27' ' ' ILE . 5.2 pm0 -119.91 143.86 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 9.0 tppt? -65.07 -42.61 93.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 t -38.73 -35.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.435 HD12 ' CD ' ' A' ' 24' ' ' GLN . 75.1 mt -83.21 -51.59 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 13' ' ' TYR . 15.1 tp -52.1 -52.71 49.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.0 t -37.12 -62.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.45 -45.82 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.406 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 34.4 t60 -60.53 -26.56 66.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -86.29 -28.88 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -51.57 -45.63 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.1 t -69.07 -28.01 66.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.905 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.1 mptt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.77 -10.82 29.47 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 70.6 m-85 -105.98 122.39 46.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.58 116.86 3.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -65.08 110.15 2.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.439 ' C ' ' OE2' ' A' ' 17' ' ' GLU . 7.8 m-80 -85.42 35.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.8 mp0 -126.43 -35.58 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.7 p -128.18 -44.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.15 24.64 2.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -97.76 142.19 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 p -106.93 162.5 13.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.1 m-85 -151.75 127.84 10.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -50.77 -45.16 58.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.57 ' NE2' HD11 ' A' ' 27' ' ' ILE . 19.3 pm0 -125.04 147.95 48.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -57.24 -39.58 75.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -40.51 -42.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.57 HD11 ' NE2' ' A' ' 24' ' ' GLN . 58.9 mt -71.68 -55.99 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.592 HD13 ' CE1' ' A' ' 22' ' ' PHE . 26.8 tp -49.65 -54.99 15.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 m -39.51 -54.38 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.51 78.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.946 ' O ' HG22 ' A' ' 34' ' ' THR . 56.6 t60 -65.75 -47.42 75.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' HIS . 21.2 mt-30 -47.15 -34.11 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -45.8 -32.11 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.946 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.3 t -87.84 25.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' GLN . 62.2 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.3 mtmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.482 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 1.61 4.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.67 ' HB3' HD22 ' A' ' 28' ' ' LEU . 65.2 m-85 -110.99 135.09 52.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.96 119.64 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' ASN . 18.1 t -77.96 66.32 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' CYS . 18.9 m120 -34.48 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.4 mp0 -42.78 -49.86 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.81 -36.66 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 26.99 4.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -102.37 146.27 28.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.3 p -107.06 153.67 22.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -141.19 131.63 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 t -56.63 -41.67 77.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -123.62 150.4 44.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 16.7 ptmt -67.83 -43.84 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' LYS . 42.5 t -38.0 -46.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.9 mt -72.31 -43.64 64.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 13' ' ' TYR . 20.2 tp -57.28 -54.02 51.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.9 m -39.99 -57.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.4 84.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.548 ' O ' HG22 ' A' ' 34' ' ' THR . 66.6 t60 -58.62 -29.39 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -77.72 -30.24 51.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -44.99 -46.51 11.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.8 t -68.31 -26.03 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 p -63.07 -45.77 90.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m 40.43 42.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.44 118.73 1.54 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -85.29 90.15 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -127.51 112.8 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.29 -130.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.6 t -86.51 -40.68 15.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.58 42.67 1.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 16.0 pt-20 -100.26 -47.55 4.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -131.79 67.62 79.81 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.7 . . . . 0.0 110.878 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.73 -3.74 12.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.382 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 53.7 m-85 -110.09 154.03 23.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.11 139.29 6.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 34.0 t -94.58 66.53 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' CYS . 17.5 t30 -34.51 -38.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' CYS . 44.5 mm-40 -40.8 -49.38 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -110.89 -36.31 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.6 27.07 3.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -100.36 174.66 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.1 p -133.2 152.35 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -139.32 154.12 47.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 t -71.0 -39.61 72.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.571 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.7 pt20 -136.71 153.6 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 16.8 ptmt -61.27 -51.27 69.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' LYS . 15.6 t -35.93 -35.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -82.71 -43.87 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 11.2 tp -62.54 -54.17 43.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 t -39.92 -54.77 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.21 83.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.505 ' O ' HG22 ' A' ' 34' ' ' THR . 23.4 t60 -61.93 -29.27 70.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -80.77 -23.87 39.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -55.84 -42.26 75.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 31' ' ' HIS . 13.7 t -71.53 -30.75 66.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -60.37 -42.05 94.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -39.67 146.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.75 54.73 17.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -75.15 106.47 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -83.56 144.17 45.42 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 97.09 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.396 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.0 p -70.31 -45.59 65.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.88 -94.91 1.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 108.49 2.1 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -64.2 94.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.0 p -161.02 150.12 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.506 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m 47.78 42.74 16.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 t -121.95 153.61 38.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.65 159.15 23.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -76.78 111.69 12.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 110.863 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -101.45 46.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.19 131.93 10.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 m -149.25 157.03 43.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.924 0.392 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.98 -30.54 9.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.459 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.95 -44.07 97.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 23' ' ' SER . 0.7 OUTLIER -129.38 77.39 77.5 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.52 0.676 . . . . 0.0 110.91 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.73 -0.48 6.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.325 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 77.9 m-85 -112.14 132.35 54.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.992 0.425 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.13 133.84 7.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 10.0 t -73.95 95.85 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -56.14 -22.67 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -66.53 -65.11 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.44 -46.39 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 138.03 -32.36 2.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' GLY . 46.3 mttt -38.09 132.54 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.1 p -102.66 154.42 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -135.76 153.11 51.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 94.4 p -63.48 -44.0 95.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.577 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 2.9 pt20 -130.52 170.09 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 19.6 ttmm -74.92 -50.08 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' LYS . 47.3 t -36.42 -35.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -81.39 -54.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -51.8 -50.01 61.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -42.31 -53.67 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.62 -39.81 85.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -67.16 -19.68 65.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -83.21 -18.58 38.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -60.26 -32.25 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -90.8 22.06 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -121.49 -50.82 2.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.6 t -88.25 37.41 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.59 -37.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' LYS . 8.0 tt0 -46.1 169.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.378 . . . . 0.0 110.918 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' GLU . 8.6 mptt -37.75 143.99 0.36 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.569 0.7 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 134.14 27.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.5 m -95.84 -55.65 2.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.91 -95.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 164.93 32.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -160.84 151.02 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.3 t -156.39 153.37 28.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.486 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 p -95.3 42.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.831 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m 55.82 42.22 29.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.8 61.57 0.37 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -116.75 121.77 42.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -46.36 -62.62 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 96.28 -34.67 4.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.5 m -34.94 -44.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.26 129.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -121.68 81.47 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.376 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER 62.32 53.93 2.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.81 -18.06 36.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.321 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.7 ' HB3' HD22 ' A' ' 28' ' ' LEU . 40.4 m-85 -90.17 142.34 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' CYS . . . -137.49 92.37 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' GLY . 45.6 t -35.93 121.13 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.346 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -91.99 39.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -133.85 -48.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.0 p -114.25 -39.58 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.94 26.29 3.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -96.57 154.05 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.523 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 47.5 p -116.73 163.4 16.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 21' ' ' THR . 28.0 m-85 -150.96 128.85 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -47.62 -47.52 28.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -121.88 161.63 22.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 81.8 tttt -71.42 -46.17 60.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' LYS . 82.3 p -36.27 -40.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.5 mt -76.92 -56.66 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 13' ' ' TYR . 17.7 tp -47.15 -50.46 20.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.961 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.8 t -42.73 -60.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.67 -34.49 62.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -71.65 -27.08 62.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -77.61 -22.57 50.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -52.28 -37.03 54.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.5 t -91.4 23.84 3.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -125.48 43.44 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLY . 16.9 p -124.48 -32.37 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' THR . . . 36.88 -139.72 0.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.528 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -158.22 143.96 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.411 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -92.34 146.28 32.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.76 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.299 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -172.47 171.92 4.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.79 150.87 34.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 172.21 13.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -106.21 102.82 12.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.9 t -93.56 -61.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.535 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m 59.88 42.3 16.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -143.42 136.01 27.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.22 -88.38 1.61 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -162.12 177.08 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m -57.34 104.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.33 -51.23 0.82 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -53.92 100.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.373 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.41 166.09 32.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -97.56 122.52 40.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.484 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 7.9 mtmp? 41.48 51.52 5.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.578 0.704 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.74 -4.66 14.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.39 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 78.3 m-85 -111.87 153.65 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.71 131.96 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 14.7 t -72.02 88.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -51.01 -26.77 6.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -59.83 -64.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -94.61 -45.42 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.8 24.46 2.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -91.17 -179.62 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 p -141.18 155.16 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.185 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -146.16 135.91 23.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.6 t -54.3 -44.78 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -120.42 138.92 53.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.635 ' HD2' HD23 ' A' ' 28' ' ' LEU . 25.0 tptt -57.75 -41.68 82.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' LYS . 43.2 t -37.05 -38.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.9 mt -77.26 -55.16 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.635 HD23 ' HD2' ' A' ' 25' ' ' LYS . 23.5 tp -46.65 -52.1 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.4 t -39.33 -57.1 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.76 -46.99 85.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -58.01 -20.28 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -85.94 -31.0 22.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -48.33 -48.25 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.9 t -65.33 -19.19 65.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -87.55 50.73 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.9 p -130.78 -42.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.38 47.74 1.58 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -126.77 173.11 9.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.4 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 7.6 mptt -119.09 143.89 34.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 101.99 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.6 m -97.17 94.39 7.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.24 83.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.16 50.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.339 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t -106.28 43.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 t -145.37 140.22 27.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.539 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -77.36 165.88 23.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 t -171.23 143.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.58 -111.75 0.89 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -126.18 147.38 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -100.72 111.92 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.82 72.39 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -96.93 139.93 32.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.69 -36.72 4.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -77.5 139.94 39.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 58.1 mttt 49.02 54.69 16.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.75 2.13 3.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 16.9 m-85 -108.67 150.36 27.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.09 112.51 0.55 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.5 t -48.9 113.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -83.15 37.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -132.29 -44.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -113.46 -41.68 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.94 25.72 2.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -93.91 173.71 7.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.0 p -132.55 156.46 46.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -145.17 143.78 30.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -58.92 -43.51 91.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 7.5 pt20 -130.09 160.77 32.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -70.47 -47.58 59.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' LYS . 38.7 m -36.54 -34.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.6 mt -83.91 -50.24 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -53.47 -49.44 67.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -43.32 -53.84 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.69 80.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 34' ' ' THR . 43.1 t60 -67.69 -27.5 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -72.69 -37.32 67.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -47.22 -30.63 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.7 t -90.05 26.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -132.78 -43.73 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.6 p -54.79 101.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.03 -41.27 1.98 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.3 92.7 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.409 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' CD ' ' HB3' ' A' ' 41' ' ' SER . 3.6 ptpt -154.23 156.21 31.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.693 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.79 2.89 3.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' PRO . 60.4 p -36.33 134.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.26 146.26 3.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.81 20.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.4 m -41.22 -54.86 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t 50.06 42.16 24.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.516 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -171.98 112.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 m -134.97 173.19 12.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.71 64.87 0.35 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -98.27 45.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -79.05 46.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.06 154.65 16.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -102.53 171.01 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' HD3' ' A' ' 12' ' ' PRO . . . 60.47 -137.71 48.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 72.65 47.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER 61.83 53.5 2.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 110.95 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.72 -5.95 17.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.583 ' CD2' ' HB3' ' A' ' 25' ' ' LYS . 63.2 m-85 -116.05 119.22 35.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.81 130.96 8.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -60.45 127.03 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -84.36 -16.04 44.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -76.43 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.06 -48.07 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.4 -25.6 3.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -44.53 134.28 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.512 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 19.7 p -101.03 170.66 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.156 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' ' C ' ' A' ' 21' ' ' THR . 52.2 m-85 -153.22 131.22 11.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.8 p -45.8 -47.33 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -125.29 141.94 51.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 13' ' ' TYR . 8.5 pttm -58.88 -41.59 87.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' LYS . 7.5 t -36.93 -43.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -76.53 -42.9 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -53.16 -51.92 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.5 p -38.57 -49.55 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.71 85.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' HG22 ' A' ' 34' ' ' THR . 62.4 t60 -58.21 -26.81 63.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -80.23 -28.31 38.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -49.18 -49.09 44.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.2 t -64.55 -28.76 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -71.31 76.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.8 p -155.2 173.43 16.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.65 114.45 3.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 39.85 42.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.923 0.392 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.71 152.35 9.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.592 0.71 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.1 Cg_endo -69.76 136.42 32.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 40' ' ' PRO . 94.4 p -37.01 155.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.17 83.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 105.42 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 m -139.15 174.16 10.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.5 p -173.98 148.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.524 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -43.13 -57.46 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 46.1 42.16 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.27 -168.41 12.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m 57.8 42.3 23.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -132.75 168.93 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.11 45.59 11.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.458 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -86.72 -44.0 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.883 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.08 47.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -116.1 82.26 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 10.0 mptt 62.15 52.59 2.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -12.31 32.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.376 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 54.7 m-85 -104.99 143.08 33.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.74 130.6 5.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 t -82.6 108.99 16.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.407 ' C ' ' CD ' ' A' ' 17' ' ' GLU . 2.9 t-20 -86.35 36.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.8 mp0 -125.45 -38.66 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -124.55 -37.8 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.6 25.99 3.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 42.0 mttp -96.85 174.43 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 32.0 p -137.21 160.85 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.719 ' CD1' HD13 ' A' ' 28' ' ' LEU . 24.7 m-85 -151.28 132.4 14.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -60.6 -39.41 88.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -123.32 148.44 45.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 25.7 ttpt -68.07 -42.42 80.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.7 t -38.48 -39.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.71 -47.41 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.719 HD13 ' CD1' ' A' ' 22' ' ' PHE . 38.2 tp -53.61 -54.72 33.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LEU . 4.4 t -37.25 -60.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.98 69.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.656 ' O ' HG22 ' A' ' 34' ' ' THR . 68.3 t60 -63.0 -32.84 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -77.84 -32.38 52.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -48.57 -39.63 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.9 t -73.99 -23.1 59.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -76.03 -40.84 52.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -96.66 39.1 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.25 102.64 1.08 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -81.6 147.55 29.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -82.92 143.97 47.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.539 0.685 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -48.25 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -47.43 165.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.69 -159.1 6.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -27.13 27.07 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.738 2.292 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.6 p -174.49 122.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.5 m -131.05 131.84 44.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.444 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -48.35 111.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -157.29 135.14 10.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.31 61.33 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 p -151.06 111.83 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.901 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -95.01 113.23 24.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -147.7 -42.62 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 7' ' ' GLY . 12.9 t 36.54 42.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.09 53.78 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -113.5 82.37 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.403 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 3.0 mtmp? 47.63 54.13 15.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -12.15 32.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 23.1 m-85 -94.61 141.19 28.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.11 104.83 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.9 t -41.32 113.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -82.72 38.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' CG ' ' HB3' ' A' ' 35' ' ' HIS . 12.9 mm-40 -131.84 -41.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -123.41 -41.72 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.63 24.62 2.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -98.43 133.66 42.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 p -98.34 168.56 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -154.5 131.98 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -52.97 -43.94 66.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.54 137.95 54.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 16.2 ttmt -58.41 -43.57 88.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' LYS . 48.7 p -36.01 -37.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.9 mt -79.34 -50.77 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 13' ' ' TYR . 24.4 tp -50.7 -49.01 58.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -40.77 -62.27 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.33 80.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' HG22 ' A' ' 34' ' ' THR . 66.7 t60 -54.79 -33.42 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -72.51 -30.39 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -49.37 -35.23 18.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.9 t -91.08 27.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 55.8 m-70 -131.29 41.58 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.2 p -131.63 119.57 21.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.87 43.85 4.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -124.41 76.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -174.96 144.75 0.85 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.539 0.685 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 92.18 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.1 t -57.03 112.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.2 -175.39 24.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 143.96 52.38 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 t -101.37 110.68 22.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -67.84 149.08 50.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.435 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m -83.8 159.21 21.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 p -68.88 85.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.811 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.48 169.56 54.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -83.03 -45.88 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -108.77 162.6 14.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.803 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.09 -62.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.442 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -134.74 154.5 51.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.78 70.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -54.79 -56.09 23.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -132.25 80.89 62.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.533 0.682 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.4 Cg_endo -69.73 1.59 4.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 71.3 m-85 -110.78 121.29 44.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.653 ' HA2' HG22 ' A' ' 21' ' ' THR . . . -120.94 135.39 10.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.49 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 19' ' ' GLY . 11.5 t -78.52 98.85 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -56.41 -27.92 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -60.63 -65.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -105.13 -45.14 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 136.8 -31.05 2.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -42.17 131.19 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.653 HG22 ' HA2' ' A' ' 14' ' ' GLY . 43.4 p -104.36 163.64 12.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -141.66 162.39 35.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.4 p -71.59 -42.72 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 6.9 pt20 -129.76 164.34 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.51 -39.94 62.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.6 m -42.62 -36.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.0 mt -84.23 -58.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -45.45 -33.6 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 t -56.2 -55.47 32.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -31.51 70.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -70.7 -25.11 62.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -82.58 -19.12 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -60.52 -32.1 71.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.2 t -94.11 21.53 6.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -116.27 -51.26 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -105.15 157.02 17.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.46 -39.76 1.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -166.55 123.72 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -38.74 144.71 0.39 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 104.6 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 t -43.42 112.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.18 146.28 4.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 140.82 43.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.9 t -105.88 78.2 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.4 t -155.2 136.57 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 m -141.93 176.74 8.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -168.63 144.98 3.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.1 141.91 12.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -65.08 160.92 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -160.53 149.5 16.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.52 71.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -147.5 142.58 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.931 0.396 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.421 ' C ' ' HD3' ' A' ' 12' ' ' PRO . . . -67.39 -115.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 73.23 45.24 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 39.6 mttm 62.39 53.94 2.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.557 0.694 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.8 -11.62 31.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 26.2 m-85 -95.07 137.7 33.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.99 112.13 1.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -50.33 109.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -81.08 42.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -133.99 -44.18 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -119.08 -38.86 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.14 25.19 2.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 34.5 mtpt -95.44 170.7 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.9 p -136.23 163.59 30.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -150.81 137.32 18.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.6 t -54.37 -44.95 72.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -119.48 145.57 46.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 9.5 ptpp? -63.18 -39.72 95.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 8.3 t -39.92 -50.25 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.91 -48.42 79.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 13' ' ' TYR . 20.0 tp -50.91 -47.07 60.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -44.17 -57.28 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.86 -38.74 79.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.509 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 59.4 t60 -64.61 -28.26 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -76.54 -26.53 55.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -51.52 -39.98 58.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t -86.7 26.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' THR . 50.9 m-70 -129.41 -57.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' HIS . 9.9 t -34.17 128.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.67 111.42 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 71.61 42.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 12.2 tttp -91.63 143.32 27.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.76 -175.98 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 t -100.56 123.41 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.28 146.46 18.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.3 p -52.14 147.42 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.1 p -124.53 162.66 23.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.469 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 t -82.17 -45.21 15.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -45.78 139.34 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 -47.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -121.56 133.91 55.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -58.82 112.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.846 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.7 48.48 3.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -95.65 78.91 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.822 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.19 -54.92 0.37 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -65.55 -57.81 7.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -125.0 67.28 53.0 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.3 Cg_endo -69.7 -1.46 8.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 33.4 m-85 -110.38 131.08 55.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.93 127.93 3.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 37.9 t -78.75 67.88 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' CYS . 45.9 t30 -34.56 -36.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' CYS . 5.7 mm-40 -42.66 -51.48 5.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.52 -37.02 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.23 25.12 3.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -91.68 177.85 6.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 p -137.61 157.29 46.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD1' HD13 ' A' ' 28' ' ' LEU . 53.7 m-85 -153.07 129.63 10.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 m -51.62 -44.51 62.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -122.82 157.29 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 19.0 ttmm -72.12 -44.42 63.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' LYS . 8.0 t -36.45 -38.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.1 mt -80.22 -50.41 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 22' ' ' PHE . 28.5 tp -53.74 -54.3 40.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 t -41.93 -48.63 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' LEU . 45.2 t60 -75.54 -24.6 56.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -77.4 -19.93 55.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -55.25 -41.64 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -84.26 20.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -122.25 42.83 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.2 p -114.87 -47.89 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.89 146.17 4.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -120.96 108.54 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -59.15 143.77 84.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' GLY . 53.7 Cg_endo -69.73 1.06 4.76 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -40.34 92.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' PRO . . . -120.65 -94.99 1.44 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 142.13 47.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.732 2.288 . . . . 0.0 112.353 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -154.56 152.81 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -83.16 43.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.531 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -73.76 84.15 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.857 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -126.61 168.86 13.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.0 47.67 2.7 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -48.71 -44.74 38.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.818 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -105.45 169.57 8.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.91 -100.68 2.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.2 p -154.62 151.26 28.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 104.49 2.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -86.83 93.07 9.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 23' ' ' SER . 38.4 mmtm 62.25 54.56 2.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.533 0.683 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.55 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.8 -19.78 35.52 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.55 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 39.3 m-85 -91.64 143.03 26.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.73 119.45 1.56 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 t -60.98 119.49 8.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -78.6 -22.64 46.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.48 -61.31 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 p -100.45 -47.88 4.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.06 22.83 1.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -83.78 178.19 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 p -133.08 147.83 52.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -137.35 151.97 49.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.463 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 14.0 t -66.0 -42.29 89.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.527 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.0 pt20 -136.03 175.37 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -74.77 -53.77 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.3 t -35.99 -37.53 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.448 ' CD1' ' HG2' ' A' ' 24' ' ' GLN . 45.9 mt -78.06 -56.15 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 tp -53.2 -54.63 33.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.2 t -40.41 -55.36 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.59 73.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.926 ' O ' HG22 ' A' ' 34' ' ' THR . 46.9 t60 -60.31 -35.19 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.94 -25.65 68.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 -55.82 -25.94 44.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.926 HG22 ' O ' ' A' ' 31' ' ' HIS . 11.0 t -95.91 23.56 6.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -121.83 42.57 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 t -159.62 128.83 5.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.6 -46.64 4.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -57.16 110.43 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.934 0.397 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -130.97 143.87 51.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -27.13 27.29 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.361 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 t -70.61 137.23 49.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.12 66.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -23.75 30.43 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.731 2.287 . . . . 0.0 112.377 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 p -147.73 161.21 41.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.2 p -112.33 42.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.438 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -114.66 42.22 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 p -162.77 132.13 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.84 -108.08 0.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -65.12 90.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.0 p -172.46 172.2 4.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.43 131.57 1.54 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -102.95 -47.35 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.78 108.71 2.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -126.76 88.22 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 37.3 mttm 53.18 52.96 11.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.522 0.677 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 -11.46 30.91 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.394 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 25' ' ' LYS . 34.9 m-85 -99.36 123.72 43.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.72 131.62 7.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -72.79 156.51 38.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -109.02 -28.09 9.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 8.5 mm-40 -61.99 -48.29 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.01 -46.93 3.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.96 26.77 3.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -99.2 136.62 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.9 p -97.41 156.22 16.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.432 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 81.4 m-85 -137.12 141.6 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.407 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 86.5 p -50.58 -49.22 56.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -124.13 151.1 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -65.19 -27.43 68.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 t -52.96 -38.81 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.4 mt -77.45 -42.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.1 tp -58.4 -50.58 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -40.36 -59.5 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.04 74.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -69.35 -18.02 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -87.24 -17.56 32.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -68.47 -32.04 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.0 t -88.36 18.16 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.419 ' ND1' ' HB3' ' A' ' 17' ' ' GLU . 18.3 m-70 -111.94 80.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.0 p -133.46 101.54 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.98 47.61 5.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -135.8 105.67 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.76 152.0 68.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 123.5 10.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -63.44 92.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.93 -169.92 46.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.525 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 2.73 3.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.313 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -50.94 103.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -72.6 150.89 42.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.521 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -166.77 109.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.9 p -134.35 159.04 42.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.61 102.03 0.82 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.8 m -46.03 155.08 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -96.72 -61.36 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.61 -58.41 0.7 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.8 p -83.6 43.04 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.942 0.401 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.83 115.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.535 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -107.98 103.92 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 19.3 mmmt 39.08 52.03 3.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.531 0.681 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.79 -2.56 10.41 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 60.4 m-85 -113.25 128.29 56.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.48 133.74 6.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.3 t -76.5 114.29 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -85.05 40.74 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.41 -45.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -110.49 -42.88 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.14 25.7 2.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 6.6 mtpm? -100.64 167.36 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.483 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 24.8 p -123.09 164.06 19.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.739 ' CE1' HD13 ' A' ' 28' ' ' LEU . 15.1 m-85 -152.52 127.4 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.458 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 15.8 t -53.34 -42.93 67.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -123.9 153.7 40.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 22.2 ttpp -69.89 -45.14 68.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -38.83 -36.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.7 mt -80.3 -52.38 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.739 HD13 ' CE1' ' A' ' 22' ' ' PHE . 19.9 tp -54.03 -54.56 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' LEU . 39.5 t -37.81 -55.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.18 79.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 13.9 t60 -69.59 -20.5 63.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -87.9 -21.87 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -58.65 -36.83 74.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.1 t -71.75 -31.87 67.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -63.64 -39.38 94.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -86.9 84.48 7.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.26 -157.45 33.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -122.83 11.01 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 10.8 ttmm -149.11 140.73 14.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.82 84.61 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.5 p -122.21 144.26 49.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.31 -178.26 26.01 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.65 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 t -78.8 110.51 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -168.75 159.09 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.553 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -100.66 167.87 10.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 m -77.65 126.17 30.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.72 48.79 3.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m 55.77 42.4 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -57.7 117.81 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.64 43.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.4 m -57.91 -56.81 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.76 40.78 2.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -66.22 -38.46 88.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.905 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 31.1 mttm -131.89 75.13 76.22 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.74 -0.68 7.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 15.2 m-85 -99.53 125.18 45.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA2' HG22 ' A' ' 21' ' ' THR . . . -119.33 131.69 9.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.5 t -68.81 118.68 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -85.02 30.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' CG ' ' HB3' ' A' ' 35' ' ' HIS . 16.9 mm-40 -129.28 -37.73 1.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -132.53 -44.02 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 137.96 -34.68 2.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLY . 46.5 mttm -38.01 144.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.425 HG22 ' HA2' ' A' ' 14' ' ' GLY . 38.8 p -115.26 165.68 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.519 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 45.0 m-85 -148.72 138.17 21.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 47.1 t -53.49 -45.66 69.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -122.31 139.26 54.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 1.3 ttmp? -56.56 -43.88 80.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' LYS . 15.8 t -36.23 -39.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.1 mt -78.5 -58.21 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 14.2 tp -45.22 -49.58 12.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 t -38.42 -59.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.54 79.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 34' ' ' THR . 56.1 t60 -53.28 -27.15 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -80.41 -32.05 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -44.67 -48.84 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.0 t -66.06 -30.74 71.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 41.0 m-70 -69.17 -50.92 43.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 36' ' ' THR . 11.7 t -77.78 127.6 32.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.42 62.06 2.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -115.06 87.21 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -145.89 143.95 20.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 102.92 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.36 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.8 m -122.65 -53.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.88 -167.91 34.15 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 95.96 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.4 p -134.07 93.98 3.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 m -49.93 127.88 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.487 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.1 p -72.94 157.42 37.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -151.84 126.08 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.66 170.87 39.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -83.13 82.11 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m -112.1 140.25 46.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.66 135.92 3.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -151.15 126.33 9.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.96 -26.87 6.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -56.02 -65.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 23' ' ' SER . 16.7 mtmm -110.19 79.57 1.63 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.73 -2.34 10.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.393 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 18.8 m-85 -111.16 152.53 26.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.43 101.55 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 t -44.23 107.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.828 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -81.41 41.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -132.61 -46.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.62 -38.8 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.2 26.22 3.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -102.87 130.35 49.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.7 p -97.28 167.35 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -150.17 134.56 17.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 36.7 p -55.56 -43.5 75.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -127.93 145.28 51.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tppt? -56.96 -42.72 80.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' LYS . 26.9 t -36.1 -39.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.5 mt -77.85 -54.76 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 13' ' ' TYR . 52.5 tp -47.81 -34.27 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -57.87 -52.45 65.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.15 -35.5 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.659 ' O ' HG22 ' A' ' 34' ' ' THR . 77.5 t60 -68.42 -51.1 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -46.7 -28.2 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -48.13 -39.27 20.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 31' ' ' HIS . 13.5 t -86.56 27.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -133.62 -52.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.4 t -87.28 162.55 17.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.9 -123.49 6.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.87 84.36 2.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.1 ttpp -146.23 139.62 14.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.71 . . . . 0.0 110.858 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.73 117.8 5.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.3 p -142.14 150.96 41.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.35 146.34 22.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 91.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.308 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.4 m -105.62 148.56 27.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 m -78.09 -52.45 8.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.486 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -128.95 138.1 51.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 p -74.98 177.82 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -169.84 -40.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' GLY . 54.2 p -37.4 149.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.957 0.408 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -80.47 -61.05 2.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.8 162.07 28.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -65.29 111.07 2.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.83 -31.44 80.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.69 -49.6 75.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.933 0.396 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 23' ' ' SER . 2.2 mptp? -129.18 80.48 72.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 0.0 6.25 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.716 2.277 . . . . 0.0 112.337 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 25' ' ' LYS . 57.5 m-85 -112.83 155.73 24.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.33 139.5 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' HA ' HD11 ' A' ' 28' ' ' LEU . 47.1 t -71.13 116.94 12.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -84.41 31.4 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -131.32 -38.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -129.77 -44.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 138.44 -36.46 1.9 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' GLY . 64.0 mttt -35.06 134.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.47 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 79.7 p -107.09 169.2 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 21' ' ' THR . 51.6 m-85 -151.27 149.42 29.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 48.4 t -59.79 -45.28 92.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' CG ' HG13 ' A' ' 27' ' ' ILE . 16.9 pt20 -124.33 171.61 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 27.5 tttm -79.41 -50.15 11.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 5.0 t -36.18 -35.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.404 HG13 ' CG ' ' A' ' 24' ' ' GLN . 54.9 mt -80.12 -55.45 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' ' 15' ' ' CYS . 19.3 tp -53.38 -53.7 47.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.8 t -35.64 -58.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.4 72.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' O ' HG22 ' A' ' 34' ' ' THR . 63.3 t60 -52.61 -28.25 20.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.65 -32.57 23.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -52.38 -34.13 46.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.1 t -80.93 -24.85 37.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -68.07 -42.59 80.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -87.41 -39.33 15.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.17 -158.8 2.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -129.67 81.58 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 51.7 tttp -116.58 139.4 25.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.555 0.693 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 42' ' ' GLY . 53.9 Cg_endo -69.78 0.56 5.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.36 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.0 p -56.79 81.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 40' ' ' PRO . . . 107.52 83.31 1.56 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.501 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 0.91 4.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.26 . . . . 0.0 112.387 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.2 p -50.87 138.49 18.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 t -129.83 151.77 50.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.487 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 p -93.35 165.35 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -127.65 120.8 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.39 85.01 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 m -99.59 83.72 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.823 0.344 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 p -148.3 146.83 28.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.62 42.12 2.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.8 p -112.33 131.69 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.33 105.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 11' ' ' LYS . 11.7 pt-20 -130.88 110.28 11.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 34.7 mttp 35.51 54.71 2.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 -15.79 37.14 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.605 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.7 m-85 -91.92 133.94 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -134.87 105.59 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.9 t -47.04 111.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -83.39 39.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -131.94 -47.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -112.86 -41.02 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.52 24.66 2.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 30.9 mttt -93.86 172.22 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -137.15 156.34 48.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 22.6 m-85 -149.08 134.61 18.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -60.35 -39.94 88.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.435 ' CD ' HD12 ' A' ' 27' ' ' ILE . 5.2 pm0 -119.91 143.86 47.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 9.0 tppt? -65.07 -42.61 93.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 t -38.73 -35.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.435 HD12 ' CD ' ' A' ' 24' ' ' GLN . 75.1 mt -83.21 -51.59 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 13' ' ' TYR . 15.1 tp -52.1 -52.71 49.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.0 t -37.12 -62.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.45 -45.82 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.406 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 34.4 t60 -60.53 -26.56 66.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -86.29 -28.88 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -51.57 -45.63 63.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.1 t -69.07 -28.01 66.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -70.58 -61.99 1.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -53.4 146.74 11.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.32 120.3 6.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -109.9 37.98 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 65.0 tttt -162.36 139.39 6.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.553 0.692 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.75 -50.01 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.5 m -82.03 135.01 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.19 83.33 0.32 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 115.16 3.96 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.374 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -132.18 141.99 49.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.4 m -117.67 108.29 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.486 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -55.07 156.93 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 t -102.97 98.26 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.63 -87.33 1.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.7 p -114.04 41.27 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -89.86 87.73 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.31 58.2 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.6 m -129.92 39.76 3.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.84 145.37 10.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.481 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -90.18 91.51 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.398 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.1 mptt 62.07 54.9 2.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.77 -10.82 29.47 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 70.6 m-85 -105.98 122.39 46.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.58 116.86 3.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -65.08 110.15 2.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' C ' ' OE2' ' A' ' 17' ' ' GLU . 7.8 m-80 -85.42 35.7 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.8 mp0 -126.43 -35.58 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.7 p -128.18 -44.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.15 24.64 2.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -97.76 142.19 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.3 p -106.93 162.5 13.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.1 m-85 -151.75 127.84 10.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -50.77 -45.16 58.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.57 ' NE2' HD11 ' A' ' 27' ' ' ILE . 19.3 pm0 -125.04 147.95 48.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -57.24 -39.58 75.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -40.51 -42.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.57 HD11 ' NE2' ' A' ' 24' ' ' GLN . 58.9 mt -71.68 -55.99 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.592 HD13 ' CE1' ' A' ' 22' ' ' PHE . 26.8 tp -49.65 -54.99 15.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 m -39.51 -54.38 1.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.51 78.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.946 ' O ' HG22 ' A' ' 34' ' ' THR . 56.6 t60 -65.75 -47.42 75.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' HIS . 21.2 mt-30 -47.15 -34.11 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -45.8 -32.11 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.946 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.3 t -87.84 25.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' GLN . 62.2 m-70 -133.26 -43.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.5 p -80.8 139.69 35.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 172.03 43.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -94.81 110.36 22.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 15.7 ttmm -130.2 139.33 35.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.708 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.73 164.21 35.35 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.646 2.23 . . . . 0.0 112.341 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 t -39.64 132.61 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.64 -160.43 29.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.7 36.06 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -101.62 104.27 15.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -67.56 118.76 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.506 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 m -99.21 83.66 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -54.9 107.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.68 173.04 19.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 p -147.46 175.5 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 p -118.2 172.12 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.87 -43.82 1.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -59.78 162.19 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.38 63.34 0.35 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -88.54 49.64 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.3 mtmm 63.69 54.97 1.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.79 1.61 4.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.67 ' HB3' HD22 ' A' ' 28' ' ' LEU . 65.2 m-85 -110.99 135.09 52.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -132.96 119.64 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' ASN . 18.1 t -77.96 66.32 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' CYS . 18.9 m120 -34.48 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.4 mp0 -42.78 -49.86 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.81 -36.66 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 26.99 4.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -102.37 146.27 28.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.3 p -107.06 153.67 22.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -141.19 131.63 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 t -56.63 -41.67 77.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -123.62 150.4 44.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 16.7 ptmt -67.83 -43.84 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' LYS . 42.5 t -38.0 -46.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.9 mt -72.31 -43.64 64.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 13' ' ' TYR . 20.2 tp -57.28 -54.02 51.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.9 m -39.99 -57.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.4 84.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.548 ' O ' HG22 ' A' ' 34' ' ' THR . 66.6 t60 -58.62 -29.39 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -77.72 -30.24 51.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -44.99 -46.51 11.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.8 t -68.31 -26.03 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -76.11 75.17 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.6 p -137.8 142.85 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.92 -61.64 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.53 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -104.18 -1.63 26.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -109.94 81.02 1.91 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.573 0.701 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 178.68 4.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -118.86 -51.58 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.63 -74.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 106.61 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.9 t -39.94 109.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.7 m -131.57 121.28 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.495 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_